Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03634 | Target Info | |||
| Target Name | CREB-binding protein (CREBBP) | ||||
| Synonyms | CREBbinding protein; CBP | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CREBBP | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Acetaminophen | Ligand Info | |||||
| Structure Description | BROMODOMAIN OF HUMAN CREBBP WITH N-(4-hydroxyphenyl)acetamide | PDB:4A9K | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [1] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
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| Ligand Name: CCS1477 | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with CCS1477 | PDB:7XH6 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [2] |
| PDB Sequence |
FKPEELRQAL
1094 MPTLEALYRQ1104 DPESLPFRQP1114 VDPQLLGIPD1124 YFDIVKNPMD1134 LSTIKRKLDT 1144 GQYQEPWQYV1154 DDVWLMFNNA1164 WLYNRKTSRV1174 YKFCSKLAEV1184 FEQEIDPVMQ 1194 SL
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| Ligand Name: Ischemin | Ligand Info | |||||
| Structure Description | Solution NMR structures of CBP bromodomain with small molecule j28 | PDB:2L84 | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [3] |
| PDB Sequence |
GSHMRKKIFK
1086 PEELRQALMP1096 TLEALYRQDP1106 ESLPFRQPVD1116 PQLLGIPDYF1126 DIVKNPMDLS 1136 TIKRKLDTGQ1146 YQEPWQYVDD1156 VWLMFNNAWL1166 YNRKTSRVYK1176 FCSKLAEVFE 1186 QEIDPVMQSL1196 G
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J28 or .J282 or .J283 or :3J28;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: MS7972 | Ligand Info | |||||
| Structure Description | Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association | PDB:2D82 | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [4] |
| PDB Sequence |
GSHMRKKIFK
1086 PEELRQALMP1096 TLEALYRQDP1106 ESLPFRQPVD1116 PQLLGIPDYF1126 DIVKNPMDLS 1136 TIKRKLDTGQ1146 YQEPWQYVDD1156 VWLMFNNAWL1166 YNRKTSRVYK1176 FCSKLAEVFE 1186 QEIDPVMQSL1196 G
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TTR or .TTR2 or .TTR3 or :3TTR;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: SGC-CBP30 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | PDB:4NR7 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [5] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2LO or .2LO2 or .2LO3 or :32LO;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4r)-4-Methyl-6-[1-Methyl-3-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One | Ligand Info | |||||
| Structure Description | CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | PDB:5I8G | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [6] |
| PDB Sequence |
GSRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLGY1198 CCGRKYEFSP1208 QTLCCYGKQL1218 CTIPRDAAYY1228 SYQNRYHFCE 1238 KCFTLGDDPS1256 QPQTTISKDQ1266 FEKKKNDTLD1276 PEPFVDCKEC1286 GRKMHQICVL 1296 HYDIIWPSGF1306 VCDNCL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .69E or .69E2 or .69E3 or :369E;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4r)-6-[3-(Benzyloxy)phenyl]-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One | Ligand Info | |||||
| Structure Description | CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | PDB:5I8B | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [6] |
| PDB Sequence |
GSRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLGY1198 CCGRKYEFSP1208 QTLCCYGKQL1218 CTIPRDAAYY1228 SYQNRYHFCE 1238 KCFTLGDDPS1256 QPQTTISKDQ1266 FEKKKNDTLD1276 PEPFVDCKEC1286 GRKMHQICVL 1296 HYDIIWPSGF1306 VCDNCL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .69F or .69F2 or .69F3 or :369F;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd 30 (1-(3-(3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | PDB:6ALB | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [7] |
| PDB Sequence |
SRKKIFKPEE
1089 LRQALMPTLE1099 ALYRQDPESL1109 PFRQPVDPQL1119 LGIPDYFDIV1129 KNPMDLSTIK 1139 RKLDTGQYQE1149 PWQYVDDVWL1159 MFNNAWLYNR1169 KTSRVYKFCS1179 KLAEVFEQEI 1189 DPVMQSLGYC1199 CGRKYEFSPQ1209 TLCCYLCTIP1222 RDAAYYSYQN1232 RYHFCEKCFD 1254 PSQPQTTEKK1270 KNDTLDPEPF1280 VDCKECGRKM1290 HQICVLHYDI1300 IWPSGFVCDN 1310 CL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BKJ or .BKJ2 or .BKJ3 or :3BKJ;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(7-(Difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide) | PDB:5W0E | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [8] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9U4 or .9U42 or .9U43 or :39U4;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | Ligand Info | |||||
| Structure Description | CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | PDB:5W0L | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [9] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9UD or .9UD2 or .9UD3 or :39UD;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one | Ligand Info | |||||
| Structure Description | CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | PDB:5W0F | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [9] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9U7 or .9U72 or .9U73 or :39U7;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide | Ligand Info | |||||
| Structure Description | CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide) | PDB:5W0Q | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [9] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9UG or .9UG2 or .9UG3 or :39UG;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[(1-Ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with Y08175 | PDB:7XIJ | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [10] |
| PDB Sequence |
HHHHHENLYF
1076 QGGSRKKIFK1086 PEELRQALMP1096 TLEALYRQDP1106 ESLPFRQPVD1116 PQLLGIPDYF 1126 DIVKNPMDLS1136 TIKRKLDTGQ1146 YQEPWQYVDD1156 VWLMFNNAWL1166 YNRKTSRVYK 1176 FCSKLAEVFE1186 QEIDPVMQSL1196 G
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EJ3 or .EJ32 or .EJ33 or :3EJ3;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with CCS151 | PDB:7XHE | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [2] |
| PDB Sequence |
GHHHHHKIFK
1086 PEELRQALMP1096 TLEALYRQDP1106 ESLPFRQPVD1116 PQLLGIPDYF1126 DIVKNPMDLS 1136 TIKRKLDTGQ1146 YQEPWQYVDD1156 VWLMFNNAWL1166 YNRKTSRVYK1176 FCSKLAEVFE 1186 QEIDPVMQSL1196 G
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JHF or .JHF2 or .JHF3 or :3JHF;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal Structure Analysis of the CBP | PDB:5XXH | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [11] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 PVMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E0D or .E0D2 or .E0D3 or :3E0D;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with CCS150 | PDB:7XI0 | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [2] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EL0 or .EL02 or .EL03 or :3EL0;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with Y08284 | PDB:7XNE | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [12] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GHF or .GHF2 or .GHF3 or :3GHF;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1112 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with Y08092(31g) | PDB:7XNG | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [13] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GI5 or .GI52 or .GI53 or :3GI5;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the CBP in complex with the Y08188 | PDB:7XM7 | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [14] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GAY or .GAY2 or .GAY3 or :3GAY;style chemicals stick;color identity;select .A:1102 or .A:1105 or .A:1109 or .A:1110 or .A:1112 or .A:1113; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with 9c | PDB:7EVJ | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [12] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 P
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JE9 or .JE92 or .JE93 or :3JE9;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1121 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-[(4-Hydroxyphenyl)diazenyl]benzenesulfonic acid | Ligand Info | |||||
| Structure Description | Solution NMR structures of CBP bromodomain with small molecule of HBS | PDB:2L85 | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [3] |
| PDB Sequence |
GSHMRKKIFK
1086 PEELRQALMP1096 TLEALYRQDP1106 ESLPFRQPVD1116 PQLLGIPDYF1126 DIVKNPMDLS 1136 TIKRKLDTGQ1146 YQEPWQYVDD1156 VWLMFNNAWL1166 YNRKTSRVYK1176 FCSKLAEVFE 1186 QEIDPVMQSL1196 G
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L85 or .L852 or .L853 or :3L85;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1128 or .A:1129 or .A:1163 or .A:1167 or .A:1168 or .A:1172 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,3-Dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one | Ligand Info | |||||
| Structure Description | CBP-BrD complexed with NEO2734 | PDB:7WX2 | ||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | No | [15] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 PVMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7OW or .7OW2 or .7OW3 or :37OW;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 7-(3,5-Dimethoxyphenyl)-N-[(3s)-1-Methylpiperidin-3-Yl]-4-Propanoyl-2,3,4,5-Tetrahydro-1,4-Benzoxazepine-9-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound | PDB:5J0D | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [16] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 PVMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6F9 or .6F92 or .6F93 or :36F9;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (3r)-N-[3-(7-Methoxy-3,4-Dihydroquinolin-1(2h)-Yl)propyl]-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoxaline-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | PDB:4NYX | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [17] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2O4 or .2O42 or .2O43 or :32O4;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(1-Methyl-6-Oxidanylidene-Pyridin-3-Yl)carbonylamino]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with UN32 | PDB:5EP7 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [18] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QR or .5QR2 or .5QR3 or :35QR;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (3R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-difluoropropyl]-3-methyl-2-oxo-3,4-dihydro-1H-quinoxaline-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | PDB:6YIL | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | No | [19] |
| PDB Sequence |
FKPEELRQAL
1094 MPTLEALYRQ1104 DPESLPFRQP1114 VDPQLLGIPD1124 YFDIVKNPMD1134 LSTIKRKLDT 1144 GQYQEPWQYV1154 DDVWLMFNNA1164 WLYNRKTSRV1174 YKFCSKLAEV1184 FEQEIDPVMQ 1194 SLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OSQ or .OSQ2 or .OSQ3 or :3OSQ;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | PDB:6YIM | ||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [20] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OS8 or .OS82 or .OS83 or :3OS8;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-Ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with UT07C | PDB:5MMG | ||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [18] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UT0 or .UT02 or .UT03 or :3UT0;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with FA26 | PDB:5MPN | ||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [18] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YE5 or .YE52 or .YE53 or :3YE5;style chemicals stick;color identity;select .A:1095 or .A:1098 or .A:1099 or .A:1102 or .A:1103 or .A:1109 or .A:1110 or .A:1111 or .A:1112 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1139 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET1095
3.800
LEU1098
4.919
GLU1099
3.339
TYR1102
3.318
ARG1103
3.292
LEU1109
3.658
PRO1110
3.387
PHE1111
4.202
ARG1112
3.661
VAL1115
3.508
|
|||||
| Ligand Name: Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with DSPB2A002 | PDB:5OWK | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [18] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7MX or .7MX2 or .7MX3 or :37MX;style chemicals stick;color identity;select .A:1095 or .A:1098 or .A:1099 or .A:1102 or .A:1109 or .A:1110 or .A:1111 or .A:1112 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1139 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-[2-(3,5-dihydro-2H-pyrazin-4-yl)ethoxy]benzoate | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with UP39 | PDB:5ENG | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [18] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5QN or .5QN2 or .5QN3 or :35QN;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(4-Amino-3-methoxyphenyl)ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with CBP015 | PDB:5MQG | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [21] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F31 or .F312 or .F313 or :3F31;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with US46C | PDB:5MME | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [18] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8Q6 or .8Q62 or .8Q63 or :38Q6;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2,5-dimethyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with DT29 | PDB:6FQO | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [18] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2T or .E2T2 or .E2T3 or :3E2T;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with CBP007 | PDB:5MPZ | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [21] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4I8 or .4I82 or .4I83 or :34I8;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1149 or .A:1151 or .A:1155 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3r)-N-[3-(3,4-Dihydroquinolin-1(2h)-Yl)propyl]-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoxaline-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | PDB:4NYW | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [22] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2O3 or .2O32 or .2O33 or :32O3;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[3-[3-[3,3-Bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with DR09 | PDB:6FQU | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [18] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3B or .E3B2 or .E3B3 or :3E3B;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(5-acetyl-2-ethoxyphenyl)-5-(2-ethyl-5-methyl-3-oxo-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with PB08 | PDB:6FR0 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [18] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3H or .E3H2 or .E3H3 or :3E3H;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with KD341 | PDB:6SQE | ||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | No | [23] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LSZ or .LSZ2 or .LSZ3 or :3LSZ;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-(1-Methyl-1H-indol-3-yl)ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with CBP019 | PDB:5MQK | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [21] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 PVMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QPR or .QPR2 or .QPR3 or :3QPR;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Methyl-3,4-Dihydroquinazolin-2(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand | PDB:3P1F | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [24] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3PF or .3PF2 or .3PF3 or :33PF;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-acetyl-N-[(3-chlorophenyl)methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1 | PDB:5LPJ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [25] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XDM or .XDM2 or .XDM3 or :3XDM;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-bromo-N-methyl-1H-pyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with CBP006 | PDB:5MQE | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [21] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PKU or .PKU2 or .PKU3 or :3PKU;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Xdm207PS2T2 | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c | PDB:5LPL | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [25] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .71X or .71X2 or .71X3 or :371X;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[7-(3,4-Dimethoxyphenyl)-9-{[(3r)-1-Methylpiperidin-3-Yl]methoxy}-2,3-Dihydro-1,4-Benzoxazepin-4(5h)-Yl]propan-1-One | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand | PDB:4NR6 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [26] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2LN or .2LN2 or .2LN3 or :32LN;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | PDB:4NR5 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [27] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2LL or .2LL2 or .2LL3 or :32LL;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | PDB:4NR4 | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [28] |
| PDB Sequence |
FKPEELRQAL
1094 MPTLEALYRQ1104 DPESLPFRQP1114 VDPQLLGIPD1124 YFDIVKNPMD1134 LSTIKRKLDT 1144 GQYQEPWQYV1154 DDVWLMFNNA1164 WLYNRKTSRV1174 YKFCSKLAEV1184 FEQEIDPVMQ 1194 SLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2LK or .2LK2 or .2LK3 or :32LK;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-[(5-Acetyl-2-Ethoxyphenyl)carbamoyl]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with UL04 | PDB:4TQN | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [29] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QS
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UL4 or .UL42 or .UL43 or :3UL4;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Ethanoyl-3-Ethyl-5-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-1~{h}-Pyrrole-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM4 | PDB:5NRW | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [25] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .96N or .96N2 or .96N3 or :396N;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Methyl 3-(7~{h}-Purin-6-Ylcarbamoyl)benzoate | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with UO37D | PDB:5H85 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [18] |
| PDB Sequence |
MRKKIFKPEE
1089 LRQALMPTLE1099 ALYRQDPESL1109 PFRQPVDPQL1119 LGIPDYFDIV1129 KNPMDLSTIK 1139 RKLDTGQYQE1149 PWQYVDDVWL1159 MFNNAWLYNR1169 KTSRVYKFCS1179 KLAEVFEQEI 1189 DPVMQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5XS or .5XS2 or .5XS3 or :35XS;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R,R)-2,3-butanediol | Ligand Info | |||||
| Structure Description | Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP | PDB:5NU3 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [25] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BU3 or .BU32 or .BU33 or :3BU3;style chemicals stick;color identity;select .A:1103 or .A:1104 or .A:1105 or .A:1106 or .A:1107 or .A:1109 or .A:1141 or .A:1146 or .A:1147 or .A:1148 or .A:1152 or .A:1156 or .A:1173 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-acetyl-N-[(2,8-dihydroxynaphthalen-1-yl)methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP | PDB:5NU3 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [25] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .99E or .99E2 or .99E3 or :399E;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3-Phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one | Ligand Info | |||||
| Structure Description | Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment | PDB:5TB6 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [30] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .77X or .77X2 or .77X3 or :377X;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-Ethoxybenzoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand | PDB:3SVH | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [31] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 PVMQSLG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KRG or .KRG2 or .KRG3 or :3KRG;style chemicals stick;color identity;select .A:1091 or .A:1095 or .A:1096 or .A:1098 or .A:1099 or .A:1102 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1139 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG1091
2.794
MET1095
3.647
PRO1096
3.904
LEU1098
3.948
GLU1099
3.411
TYR1102
3.325
LEU1109
4.483
PRO1110
3.252
PHE1111
3.807
GLN1113
3.632
|
|||||
| Ligand Name: N-[3-(5-acetyl-2-ethoxyphenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with DR46 | PDB:6FQT | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [32] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AY2 or .AY22 or .AY23 or :3AY2;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with LA36 | PDB:6SQM | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [33] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU5 or .LU52 or .LU53 or :3LU5;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-acetamido-5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with US13A | PDB:5NLK | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [34] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .92E or .92E2 or .92E3 or :392E;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N6-Acetyl-L-lysine | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine | PDB:3P1C | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [35] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALY or .ALY2 or .ALY3 or :3ALY;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand | PDB:4NYV | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [36] |
| PDB Sequence |
RKKIFKPEEL
1090 RQALMPTLEA1100 LYRQDPESLP1110 FRQPVDPQLL1120 GIPDYFDIVK1130 NPMDLSTIKR 1140 KLDTGQYQEP1150 WQYVDDVWLM1160 FNNAWLYNRK1170 TSRVYKFCSK1180 LAEVFEQEID 1190 PVMQSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .15E or .15E2 or .15E3 or :315E;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Methyl-2-pyrrolidinone | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with N-Methyl-2-pyrrolidone (NMP) | PDB:3P1D | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [35] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB3 or .MB32 or .MB33 or :3MB3;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(5-acetyl-2-ethoxyphenyl)-3-(2H-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with DK19 | PDB:5MPK | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [18] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0BC or .0BC2 or .0BC3 or :30BC;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-[2-(4-Methoxyphenyl)ethyl]-1-[2-(Morpholin-4-Yl)ethyl]-1h-Benzimidazole | Ligand Info | |||||
| Structure Description | Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons | PDB:5CGP | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [37] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .53W or .53W2 or .53W3 or :353W;style chemicals stick;color identity;select .A:1106 or .A:1107 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(1-Acetyl-1h-Indol-3-Yl)-5-Methyl-1,2-Dihydro-3h-Pyrazol-3-One | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with XZ08 | PDB:4TS8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [38] |
| PDB Sequence |
FKPEELRQAL
1094 MPTLEALYRQ1104 DPESLPFRQP1114 VDPQLLGIPD1124 YFDIVKNPMD1134 LSTIKRKLDT 1144 GQYQEPWQYV1154 DDVWLMFNNA1164 WLYNRKTSRV1174 YKFCSKLAEV1184 FEQEIDPVMQ 1194 SL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XZ8 or .XZ82 or .XZ83 or :3XZ8;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3R)-1-Acetylpyrrolidine-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 | PDB:6SXX | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [39] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LXQ or .LXQ2 or .LXQ3 or :3LXQ;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-[[5-acetyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexed with LB32A | PDB:6SQF | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [40] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LTW or .LTW2 or .LTW3 or :3LTW;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of CREBBP bromodomain complexd with PA10 | PDB:6FRF | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [18] |
| PDB Sequence |
MRKKIFKPEE
1089 LRQALMPTLE1099 ALYRQDPESL1109 PFRQPVDPQL1119 LGIPDYFDIV1129 KNPMDLSTIK 1139 RKLDTGQYQE1149 PWQYVDDVWL1159 MFNNAWLYNR1169 KTSRVYKFCS1179 KLAEVFEQEI 1189 DPVMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3T or .E3T2 or .E3T3 or :3E3T;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(5-acetyl-2-ethoxyphenyl)-5-(3-amino-5-methyl-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Structure of CREBBP bromodomain with compound 2 bound | PDB:6QST | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [41] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JGK or .JGK2 or .JGK3 or :3JGK;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1112 or .A:1113 or .A:1114 or .A:1115 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methoxy-4-{1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazol-5-Yl}cyclohepta-2,4,6-Trien-1-One | Ligand Info | |||||
| Structure Description | BROMO domain of CREB binding protein | PDB:4WHU | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [42] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3OT or .3OT2 or .3OT3 or :33OT;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1116 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1160 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO1106
3.600
LEU1109
3.356
PRO1110
2.618
PHE1111
2.973
GLN1113
4.679
PRO1114
4.855
VAL1115
3.384
ASP1116
4.075
LEU1119
3.127
LEU1120
3.111
|
|||||
| Ligand Name: (4R)-6-[(E)-5-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | PDB:6YIJ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [43] |
| PDB Sequence |
SMRKKIFKPE
1088 ELRQALMPTL1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI 1138 KRKLDTGQYQ1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE 1188 IDPVMQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OSN or .OSN2 or .OSN3 or :3OSN;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1119 or .A:1120 or .A:1121 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4R)-N-benzyl-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | PDB:5I86 | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [6] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .69A or .69A2 or .69A3 or :369A;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4r)-6-(3-Cyclopropyl-1-Methyl-1h-Indazol-5-Yl)-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | PDB:5I89 | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [6] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .69B or .69B2 or .69B3 or :369B;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4r)-4-Methyl-7-[(1r)-1-Phenylethoxy]-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | PDB:5I83 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [6] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .68Y or .68Y2 or .68Y3 or :368Y;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3-Phenylazanyl-1,4,6,7-Tetrahydropyrazolo[4,3-C]pyridin-5-Yl)ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | PDB:5KTU | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [44] |
| PDB Sequence |
ELRQALMPTL
1098 EALYRQDPES1108 LPFRQPVDPQ1118 LLGIPDYFDI1128 VKNPMDLSTI1138 KRKLDTGQYQ 1148 EPWQYVDDVW1158 LMFNNAWLYN1168 RKTSRVYKFC1178 SKLAEVFEQE1188 IDPVMQS |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6XB or .6XB2 or .6XB3 or :36XB;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4r)-6-(1-Tert-Butyl-1h-Pyrazol-4-Yl)-4-Methyl-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One | Ligand Info | |||||
| Structure Description | Crystal structure of the CBP bromodomain in complex with CPI703 | PDB:5DBM | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [45] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .58N or .58N2 or .58N3 or :358N;style chemicals stick;color identity;select .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1163 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | Ligand Info | |||||
| Structure Description | CBP bromodomain complexed with YF2-23 | PDB:7JUO | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [46] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YF2 or .YF22 or .YF23 or :3YF2;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1113 or .A:1114 or .A:1115 or .A:1116 or .A:1119 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine | Ligand Info | |||||
| Structure Description | Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) | PDB:7KPY | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [47] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WU1 or .WU12 or .WU13 or :3WU1;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide) | PDB:6AY3 | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [8] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C3J or .C3J2 or .C3J3 or :3C3J;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one) | PDB:6AY5 | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [8] |
| PDB Sequence |
KIFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQSLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C3V or .C3V2 or .C3V3 or :3C3V;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7 | PDB:6LQX | ||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [48] |
| PDB Sequence |
KKIFKPEELR
1091 QALMPTLEAL1101 YRQDPESLPF1111 RQPVDPQLLG1121 IPDYFDIVKN1131 PMDLSTIKRK 1141 LDTGQYQEPW1151 QYVDDVWLMF1161 NNAWLYNRKT1171 SRVYKFCSKL1181 AEVFEQEIDP 1191 VMQSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EOO or .EOO2 or .EOO3 or :3EOO;style chemicals stick;color identity;select .B:1109 or .B:1110 or .B:1111 or .B:1115 or .B:1120 or .B:1122 or .B:1125 or .B:1164 or .B:1167 or .B:1168 or .B:1173 or .B:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | PDB:5KTW | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [44] |
| PDB Sequence |
AAFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQAL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6XG or .6XG2 or .6XG3 or :36XG;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[3-[[2-Fluoranyl-4-(1-Methylpyrazol-4-Yl)phenyl]amino]-1-[(3~{s})-Oxolan-3-Yl]-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-5-Yl]ethanone | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | PDB:5KTX | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [44] |
| PDB Sequence |
AAFKPEELRQ
1092 ALMPTLEALY1102 RQDPESLPFR1112 QPVDPQLLGI1122 PDYFDIVKNP1132 MDLSTIKRKL 1142 DTGQYQEPWQ1152 YVDDVWLMFN1162 NAWLYNRKTS1172 RVYKFCSKLA1182 EVFEQEIDPV 1192 MQAL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6XH or .6XH2 or .6XH3 or :36XH;style chemicals stick;color identity;select .A:1106 or .A:1109 or .A:1110 or .A:1111 or .A:1113 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174 or .A:1177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl indole-3-carboxylate | Ligand Info | |||||
| Structure Description | CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate) | PDB:6AXQ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [8] |
| PDB Sequence |
FKPEELRQAL
1094 MPTLEALYRQ1104 DPESLPFRQP1114 VDPQLLGIPD1124 YFDIVKNPMD1134 LSTIKRKLDT 1144 GQYQEPWQYV1154 DDVWLMFNNA1164 WLYNRKTSRV1174 YKFCSKLAEV1184 FEQEIDPVMQ 1194 SL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C2Y or .C2Y2 or .C2Y3 or :3C2Y;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1173 or .A:1174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4r)-4-Methyl-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of the CBP bromodomain in complex with CPI098 | PDB:4YK0 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [45] |
| PDB Sequence |
IFKPEELRQA
1093 LMPTLEALYR1103 QDPESLPFRQ1113 PVDPQLLGIP1123 DYFDIVKNPM1133 DLSTIKRKLD 1143 TGQYQEPWQY1153 VDDVWLMFNN1163 AWLYNRKTSR1173 VYKFCSKLAE1183 VFEQEIDPVM 1193 QSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .986 or .9862 or .9863 or :3986;style chemicals stick;color identity;select .A:1110 or .A:1111 or .A:1115 or .A:1120 or .A:1122 or .A:1125 or .A:1164 or .A:1167 or .A:1168 or .A:1174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Fragment-based discovery of bromodomain inhibitors part 1: inhibitor binding modes and implications for lead discovery. J Med Chem. 2012 Jan 26;55(2):576-86. | ||||
| REF 2 | Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain. doi:10.1016/j.bbrc.2022.07.021. | ||||
| REF 3 | A small molecule binding to the coactivator CREB-binding protein blocks apoptosis in cardiomyocytes. Chem Biol. 2011 Apr 22;18(4):531-41. | ||||
| REF 4 | Target structure-based discovery of small molecules that block human p53 and CREB binding protein association. Chem Biol. 2006 Jan;13(1):81-90. | ||||
| REF 5 | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | ||||
| REF 6 | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). ACS Med Chem Lett. 2016 Mar 15;7(5):531-6. | ||||
| REF 7 | CREBBP bromodomain in complex with Cpd 30 (1-(3-(3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | ||||
| REF 8 | A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors. J Med Chem. 2017 Dec 28;60(24):10151-10171. | ||||
| REF 9 | GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP). J Med Chem. 2017 Nov 22;60(22):9162-9183. | ||||
| REF 10 | Crystal structure of CBP bromodomain liganded with Y08175 | ||||
| REF 11 | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer. Eur J Med Chem. 2018 Mar 10;147:238-252. | ||||
| REF 12 | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. J Med Chem. 2022 Jan 13;65(1):785-810. | ||||
| REF 13 | Crystal structure of CBP bromodomain liganded with Y08092(31g) | ||||
| REF 14 | Crystal Structure of the CBP in complex with the Y08188 | ||||
| REF 15 | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene. 2022 Jun;41(23):3251-3262. | ||||
| REF 16 | Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors. J Med Chem. 2016 Oct 13;59(19):8889-8912. | ||||
| REF 17 | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | ||||
| REF 18 | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett. 2018 Aug 8;9(9):929-934. | ||||
| REF 19 | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | ||||
| REF 20 | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | ||||
| REF 21 | Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain. Bioorg Med Chem Lett. 2017 Jun 1;27(11):2472-2478. | ||||
| REF 22 | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | ||||
| REF 23 | Crystal structure of CREBBP bromodomain complexed with KD341 | ||||
| REF 24 | Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand | ||||
| REF 25 | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew Chem Int Ed Engl. 2017 Oct 2;56(41):12476-12480. | ||||
| REF 26 | Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand | ||||
| REF 27 | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | ||||
| REF 28 | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | ||||
| REF 29 | Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics. J Med Chem. 2016 Feb 25;59(4):1340-9. | ||||
| REF 30 | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett. 2016 Sep 20;7(12):1213-1218. | ||||
| REF 31 | Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand | ||||
| REF 32 | Crystal structure of CREBBP bromodomain complexd with DR46 | ||||
| REF 33 | Crystal structure of CREBBP bromodomain complexed with LA36 | ||||
| REF 34 | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). ACS Cent Sci. 2018 Feb 28;4(2):180-188. | ||||
| REF 35 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell. 2012 Mar 30;149(1):214-31. | ||||
| REF 36 | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand | ||||
| REF 37 | Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities. Chem Biol. 2015 Dec 17;22(12):1588-96. | ||||
| REF 38 | Crystal structure of the bromodomain of human CREBBP in complex with XZ08 | ||||
| REF 39 | Crystal structure of the bromodomain of human CREBBP in complex with ACA007 | ||||
| REF 40 | Crystal structure of CREBBP bromodomain complexed with LB32A | ||||
| REF 41 | Structure of CREBBP bromodomain with compound 2 bound | ||||
| REF 42 | BROMO domain of CREB binding protein | ||||
| REF 43 | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | ||||
| REF 44 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J Med Chem. 2016 Dec 8;59(23):10549-10563. | ||||
| REF 45 | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition. J Biol Chem. 2016 Jun 17;291(25):13014-27. | ||||
| REF 46 | XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer. Proc Natl Acad Sci U S A. 2022 Jan 25;119(4):e2116764119. | ||||
| REF 47 | Development of Dimethylisoxazole-Attached Imidazo[1,2-a]pyridines as Potent and Selective CBP/P300 Inhibitors. J Med Chem. 2021 May 13;64(9):5787-5801. | ||||
| REF 48 | Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7 | ||||
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