Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T65200 Target Info
Target Name Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Synonyms HSD11B1; 11beta-HSD1A; 11HSD1; 11-beta-hydroxysteroid dehydrogenase 1; 11-beta-HSD1; 11-DH; 11 beta-hydroxysteroid dehydrogenase type 1
Target Type Clinical trial Target
Gene Name HSD11B1
Biochemical Class Short-chain dehydrogenases reductase
UniProt ID
DHI1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: BMS-823778 Ligand Info
Structure Description CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(3-(1-(4-CHLOROPHENYL)CYCLOPROPYL) -[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8-YL)PROPAN-2-OL PDB:5QII
Method X-ray diffraction Resolution 2.45 Å Mutation Yes [1]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MD
Residue
Distance (Å)
ILE121
2.957
THR124
3.818
LEU126
3.687
SER170
2.486
LEU171
3.363
ALA172
3.621
TYR177
2.776
PRO178
3.543
MET179
3.480
VAL180
2.737
Residue
Distance (Å)
TYR183
2.614
LEU215
3.111
GLY216
2.688
LEU217
2.860
THR222
4.141
ALA223
2.975
ALA226
3.671
VAL227
2.704
VAL231
3.583
Ligand Name: AZD-4017 Ligand Info
Structure Description Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. PDB:4HFR
Method X-ray diffraction Resolution 2.73 Å Mutation Yes [2]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPLVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260
SRWTTLLIRN
270
PSRKILEELY
280

STSYN
Residue
Distance (Å)
ILE121
3.995
THR124
3.555
LEU126
3.605
SER170
2.677
LEU171
3.736
ALA172
4.293
TYR177
3.424
PRO178
3.658
VAL180
3.665
TYR183
3.077
LEU215
4.161
Residue
Distance (Å)
GLY216
3.284
LEU217
2.685
THR222
4.870
ALA223
4.620
ALA226
4.962
MET233
3.776
GLN234
4.671
ASP259
2.457
SER260
4.982
THR264
3.783
Ligand Name: BMS-816336 Ligand Info
Structure Description CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) PDB:5PGY
Method X-ray diffraction Resolution 2.07 Å Mutation Yes [3]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MDR
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KG or .8KG2 or .8KG3 or :38KG;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:259; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.146
THR124
2.225
SER125
4.183
LEU126
3.283
SER170
2.701
LEU171
3.089
ALA172
3.270
TYR177
2.265
PRO178
4.858
VAL180
3.032
TYR183
2.693
Residue
Distance (Å)
LEU215
3.003
GLY216
3.087
LEU217
2.751
ILE218
4.655
THR220
4.921
THR222
3.656
ALA223
3.046
ALA226
2.921
VAL227
2.904
VAL231
3.852
ASP259
4.969
Ligand Name: AZD8329 Ligand Info
Structure Description Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329 PDB:4P38
Method X-ray diffraction Resolution 2.80 Å Mutation No [4]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPLVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPSRKI
275

LEELYSTSYN
285
WDRFI
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .21T or .21T2 or .21T3 or :321T;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:233 or .A:259; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.100
THR124
4.159
LEU126
3.698
SER170
2.514
LEU171
3.637
ALA172
4.053
TYR177
3.792
VAL180
3.827
TYR183
2.957
Residue
Distance (Å)
LEU215
3.602
GLY216
3.198
LEU217
2.999
THR222
4.529
ALA223
3.508
ALA226
3.701
VAL227
4.772
MET233
3.738
ASP259
4.731
Ligand Name: NADPH Ligand Info
Structure Description Crystal Structure of the Interface Closed Conformation of 11b-hydroxysteroid dehydrogenase isozyme 1 PDB:1XU9
Method X-ray diffraction Resolution 1.55 Å Mutation Yes [5]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSGI
230
VHMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260
SLWTTLLIRN
270

PSRKILEFLY
280
STSYNMDRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NDP or .NDP2 or .NDP3 or :3NDP;style chemicals stick;color identity;select .A:41 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:64 or .A:65 or .A:66 or .A:67 or .A:70 or .A:91 or .A:92 or .A:93 or .A:94 or .A:119 or .A:120 or .A:121 or .A:122 or .A:123 or .A:142 or .A:147 or .A:168 or .A:169 or .A:170 or .A:171 or .A:183 or .A:187 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:222 or .A:223; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY41
3.195
ALA42
3.598
SER43
2.728
LYS44
3.637
GLY45
3.325
ILE46
2.859
GLY47
4.478
THR64
4.905
ALA65
3.533
ARG66
2.836
SER67
3.286
THR70
4.541
GLY91
3.817
THR92
3.120
MET93
2.923
GLU94
4.133
ASN119
2.816
HIS120
3.731
Residue
Distance (Å)
ILE121
3.009
THR122
4.115
ASN123
4.170
VAL142
4.180
TYR147
4.145
VAL168
3.403
SER169
3.485
SER170
3.168
LEU171
4.869
TYR183
2.544
LYS187
2.914
LEU215
3.371
GLY216
3.287
LEU217
3.612
ILE218
2.939
THR220
2.818
THR222
2.667
ALA223
3.643
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: NADP+ Ligand Info
Structure Description Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE PDB:3TFQ
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [6]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NAP or .NAP2 or .NAP3 or :3NAP;style chemicals stick;color identity;select .A:41 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:65 or .A:66 or .A:67 or .A:91 or .A:92 or .A:93 or .A:94 or .A:119 or .A:120 or .A:121 or .A:122 or .A:123 or .A:142 or .A:147 or .A:168 or .A:169 or .A:170 or .A:183 or .A:187 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:222 or .A:223; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
GLY41
3.128
ALA42
3.661
SER43
2.805
LYS44
3.501
GLY45
3.401
ILE46
2.857
GLY47
4.466
ALA65
3.635
ARG66
2.856
SER67
2.603
GLY91
3.894
THR92
3.129
MET93
2.926
GLU94
3.958
ASN119
2.708
HIS120
3.733
ILE121
2.884
Residue
Distance (Å)
THR122
4.068
ASN123
4.052
VAL142
4.306
TYR147
3.989
VAL168
3.459
SER169
3.107
SER170
3.796
TYR183
2.649
LYS187
2.877
LEU215
3.274
GLY216
3.074
LEU217
3.483
ILE218
2.790
THR220
2.776
THR222
2.922
ALA223
3.341
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: KB-74935 Ligand Info
Structure Description Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor PDB:3H6K
Method X-ray diffraction Resolution 2.19 Å Mutation Yes [7]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSLWTT
265
LLIRNPSRKI
275

LEFLYSTSYN
285
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .33T or .33T2 or .33T3 or :333T;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.745
THR124
3.258
SER125
3.621
LEU126
3.555
SER170
3.526
LEU171
3.525
ALA172
3.190
TYR177
3.325
VAL180
4.204
Residue
Distance (Å)
TYR183
3.362
LEU215
3.453
GLY216
3.085
LEU217
3.344
THR220
4.899
THR222
3.306
ALA223
4.148
ALA226
3.085
VAL227
4.533
Ligand Name: Carbenoxolone Ligand Info
Structure Description Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone PDB:2BEL
Method X-ray diffraction Resolution 2.11 Å Mutation No [8]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSLWTT
265
LLI
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CBO or .CBO2 or .CBO3 or :3CBO;style chemicals stick;color identity;select .A:121 or .A:122 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:187 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:230 or .A:231 or .A:232 or .A:233 or .A:262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.335
THR122
4.667
THR124
3.793
LEU126
3.839
SER170
2.495
LEU171
3.732
ALA172
3.794
TYR177
3.392
VAL180
3.473
TYR183
2.582
LYS187
4.963
LEU215
4.027
Residue
Distance (Å)
GLY216
3.665
LEU217
3.411
THR220
4.698
THR222
3.751
ALA223
4.118
ALA226
3.724
VAL227
3.883
ILE230
4.225
VAL231
4.592
HIS232
3.827
MET233
2.871
LEU262
4.652
Ligand Name: 4-Cyclopentyl-N-[(1s,3r)-5-Oxidanyl-2-Adamantyl]-2-[[(3s)-Oxolan-3-Yl]amino]pyrimidine-5-Carboxamide Ligand Info
Structure Description Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors PDB:4BB5
Method X-ray diffraction Resolution 2.20 Å Mutation No [9]
PDB Sequence
FRPEMLQGKK
36
VIVTGASKGI
46
GREMAYHLAK
56
MGAHVVVTAR
66
SKETLQKVVS
76

HCLELGAASA
86
HYIAGTMEDM
96
TFAEQFVAQA
106
GKLMGGLDML
116
ILNHITNTSL
126

NLFHDDIHHV
136
RKSMEVNFLS
146
YVVLTVAALP
156
MLKQSNGSIV
166
VVSSLAGKVA
176

YPLVAAYSAS
186
KFALDGFFSS
196
IRKEYSVSRV
206
NVSITLCVLG
216
LIDTETAMKA
226

VSGIVHMQAA
236
PKEECALEII
246
KGGALRQEEV
256
YYDSSRWTTL
266
LIRNPSRKIL
276

EELYSTSYNM
286
DRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HD2 or .HD22 or .HD23 or :3HD2;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.595
THR124
3.675
LEU126
3.788
SER170
2.667
LEU171
3.586
ALA172
4.431
TYR177
3.843
PRO178
3.875
VAL180
3.810
TYR183
2.786
Residue
Distance (Å)
LEU215
3.642
GLY216
3.333
LEU217
3.295
THR222
3.663
ALA223
3.883
ALA226
3.679
VAL227
4.159
VAL231
3.576
MET233
4.044
Ligand Name: 6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5-Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-Carboxamide Ligand Info
Structure Description Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors PDB:4BB6
Method X-ray diffraction Resolution 2.55 Å Mutation No [9]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPLVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPSRKI
275

LEELYSTSYN
285
WDRFIN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HD1 or .HD12 or .HD13 or :3HD1;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:233 or .A:259 or .A:264; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.537
THR124
4.198
LEU126
3.607
SER170
2.746
LEU171
3.815
ALA172
4.384
TYR177
3.733
PRO178
3.797
LEU179
4.660
VAL180
3.824
TYR183
3.021
Residue
Distance (Å)
LEU215
4.158
GLY216
3.889
LEU217
3.628
THR222
4.222
ALA223
4.007
ALA226
3.865
VAL227
4.472
MET233
3.678
ASP259
4.701
THR264
4.800
Ligand Name: Chaps Ligand Info
Structure Description Crystal Structure of the Interface Closed Conformation of 11b-hydroxysteroid dehydrogenase isozyme 1 PDB:1XU9
Method X-ray diffraction Resolution 1.55 Å Mutation Yes [5]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSGI
230
VHMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260
SLWTTLLIRN
270

PSRKILEFLY
280
STSYNMDRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CPS or .CPS2 or .CPS3 or :3CPS;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:216 or .A:217 or .A:218 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:234 or .A:259 or .A:260 or .A:261 or .A:264; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.777
THR124
4.089
LEU126
4.018
SER170
4.272
LEU171
3.332
ALA172
4.244
TYR177
2.691
VAL180
4.337
TYR183
2.901
GLY216
4.348
LEU217
3.521
ILE218
4.889
Residue
Distance (Å)
THR220
4.760
THR222
4.041
ALA223
3.787
ALA226
3.902
VAL227
4.106
VAL231
4.050
GLN234
3.584
ASP259
4.457
SER260
3.974
SER261
3.581
THR264
3.582
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: 8-{[(2-Cyanopyridin-3-Yl)methyl]sulfanyl}-6-Hydroxy-3,4-Dihydro-1h-Pyrano[3,4-C]pyridine-5-Carbonitrile Ligand Info
Structure Description Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE PDB:3TFQ
Method X-ray diffraction Resolution 1.80 Å Mutation Yes [6]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .07M or .07M2 or .07M3 or :307M;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.746
THR124
3.315
SER125
3.388
LEU126
3.698
SER170
2.542
LEU171
3.437
ALA172
4.088
TYR177
4.010
VAL180
3.768
TYR183
2.551
Residue
Distance (Å)
LEU215
3.244
GLY216
3.483
LEU217
3.887
THR220
4.671
THR222
3.462
ALA223
3.947
ALA226
3.344
VAL227
3.830
VAL231
3.716
MET233
3.706
Ligand Name: (4as,8ar)-N-Cyclohexyl-4a,5,6,7,8,8a-Hexahydro-4,1,2-Benzoxathiazin-3-Amine 1,1-Dioxide Ligand Info
Structure Description 4,4-Dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta-HSD1 inhibitors for the treatment of diabetes PDB:4K1L
Method X-ray diffraction Resolution 1.96 Å Mutation Yes [10]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSGI
230
VHMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260
SLWTTLLIRN
270

PSRKILEFLY
280
STS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SFF or .SFF2 or .SFF3 or :3SFF;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.697
THR124
3.582
LEU126
3.881
SER170
3.641
LEU171
3.414
ALA172
2.824
TYR177
3.619
VAL180
3.975
TYR183
2.846
Residue
Distance (Å)
LEU215
3.393
GLY216
3.366
LEU217
3.617
THR222
3.832
ALA223
4.577
ALA226
4.363
VAL227
3.558
VAL231
4.707
Ligand Name: 4-[5-(4-Tert-Butylpiperazin-1-Yl)pyridin-2-Yl]-N-[(1r,2s,3s,5s,7s)-5-Carbamoyltricyclo[3.3.1.1~3,7~]dec-2-Yl]-3,4-Dihydroquinoxaline-1(2h)-Carboxamide Ligand Info
Structure Description Crystal structure of 11 beta-HSD1 in complex with SAR184841 PDB:4HX5
Method X-ray diffraction Resolution 2.19 Å Mutation Yes [11]
PDB Sequence
EEFRPEMLQG
34
KKVIVTGASK
44
GIGREMAYHL
54
AKMGAHVVVT
64
ARSKETLQKV
74

VSHCLELGAA
84
SAHYIAGTME
94
DMTFAEQFVA
104
QAGKLMGGLD
114
MLILNHITNT
124

SLNLFHDDIH
134
HVRKSMEVNF
144
LSYVVLTVAA
154
LPMLKQSNGS
164
IVVVSSLAGK
174

VAYPMVAAYS
184
ASKFALDGFF
194
SSIRKEYSVS
204
RVNVSITLCV
214
LGLIDTETAM
224

KAVSGIVHMQ
234
AAPKEECALE
244
IIKGGALRQE
254
EVYYDSSLWT
264
TLLIRNPSRK
274

ILEFLYSTSY
284
N
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .19V or .19V2 or .19V3 or :319V;style chemicals stick;color identity;select .A:121 or .A:122 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233 or .A:259 or .A:261 or .A:263 or .A:264 or .A:267; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.386
THR122
4.857
THR124
3.962
LEU126
3.790
SER170
2.703
LEU171
3.525
ALA172
3.771
TYR177
3.145
VAL180
4.047
TYR183
2.797
LEU215
3.734
GLY216
3.542
LEU217
2.785
Residue
Distance (Å)
THR220
4.639
THR222
3.357
ALA223
3.832
ALA226
3.762
VAL227
3.747
VAL231
4.440
MET233
3.155
ASP259
3.319
SER261
3.416
TRP263
4.573
THR264
3.228
LEU267
4.253
Ligand Name: (5s)-2-{[(1s)-1-(2-Fluorophenyl)ethyl]amino}-5-Methyl-5-(Trifluoromethyl)-1,3-Thiazol-4(5h)-One Ligand Info
Structure Description Crystal structure of human 11-beta-hydroxysteroid dehydrogenase(HSD1) in complex with NADP and thiazolone inhibitor PDB:3BZU
Method X-ray diffraction Resolution 2.25 Å Mutation Yes [12]
PDB Sequence
EEFRPEMLQG
34
KKVIVTGASK
44
GIGREMAYHL
54
AKMGAHVVVT
64
ARSKETLQKV
74

VSHCLELGAA
84
SAHYIAGTME
94
DMTFAEQFVA
104
QAGKLMGGLD
114
MLILNHITNT
124

SLNLFHDDIH
134
HVRKSMEVNF
144
LSYVVLTVAA
154
LPMLKQSNGS
164
IVVVSSLAGK
174

VAYPMVAAYS
184
ASKFALDGFF
194
SSIRKEYSVS
204
RVNVSITLCV
214
LGLIDTETAM
224

KAVSGIVHMQ
234
AAPKEECALE
244
IIKGGALRQE
254
EVYYDSSLWT
264
TLLIRNPSRK
274

ILEFLYSTSY
284
NMD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A21 or .A212 or .A213 or :3A21;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.754
THR124
3.514
SER125
4.207
LEU126
3.901
SER170
3.485
LEU171
3.344
ALA172
2.878
TYR177
3.965
VAL180
3.548
Residue
Distance (Å)
TYR183
2.873
LEU215
4.275
GLY216
3.269
LEU217
3.093
THR222
4.633
ALA223
3.604
ALA226
3.712
VAL227
3.710
MET233
3.342
Ligand Name: (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine Ligand Info
Structure Description Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Sulfonyl-piperazine Inhibitor PDB:3HFG
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [7]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSLWTT
265
LLIRNPSRKI
275

LEFLYSTS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .17R or .17R2 or .17R3 or :317R;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.608
THR124
3.577
SER125
3.606
LEU126
3.558
SER170
3.477
LEU171
3.529
ALA172
2.997
TYR177
3.266
PRO178
3.308
MET179
4.754
Residue
Distance (Å)
VAL180
3.795
TYR183
3.240
LEU215
3.306
GLY216
3.055
LEU217
3.300
THR222
2.971
ALA223
4.694
ALA226
3.366
VAL227
3.637
Ligand Name: (1s,4s)-4-[8-(2-Fluorophenoxy)[1,2,4]triazolo[4,3-A]pyridin-3-Yl]bicyclo[2.2.1]heptan-1-Ol Ligand Info
Structure Description Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with (1S,4S)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol PDB:4IJU
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [13]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MDRFIN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1EO or .1EO2 or .1EO3 or :31EO;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:175 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233 or .A:259; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.448
THR124
3.580
LEU126
3.914
SER170
2.756
LEU171
3.612
ALA172
3.602
VAL175
3.861
TYR177
3.343
VAL180
3.916
TYR183
2.776
Residue
Distance (Å)
LEU215
4.713
GLY216
3.553
LEU217
3.166
THR222
4.712
ALA223
3.605
ALA226
4.085
VAL227
4.034
VAL231
4.752
MET233
3.650
ASP259
4.963
Ligand Name: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine Ligand Info
Structure Description Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor PDB:3CZR
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [14]
PDB Sequence
QQPLNEEFRP
29
EMLQGKKVIV
39
TGASKGIGRE
49
MAYHLAKMGA
59
HVVVTARSKE
69

TLQKVVSHCL
79
ELGAASAHYI
89
AGTMEDMTFA
99
EQFVAQAGKL
109
MGGLDMLILN
119

HITNTSLNLF
129
HDDIHHVRKS
139
MEVNFLSYVV
149
LTVAALPMLK
159
QSNGSIVVVS
169

SLAGKVAYPM
179
VAAYSASKFA
189
LDGFFSSIRK
199
EYSVSRVNVS
209
ITLCVLGLID
219

TETAMKAVSG
229
VHMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260
SLWTTLLIRN
270

PSRKILEFLY
280
STSYN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3CZ or .3CZ2 or .3CZ3 or :33CZ;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.668
THR124
3.911
SER125
4.538
LEU126
3.936
SER170
3.615
LEU171
3.534
ALA172
3.221
TYR177
3.762
PRO178
3.326
MET179
3.806
Residue
Distance (Å)
VAL180
3.928
TYR183
3.696
LEU215
3.610
GLY216
3.125
LEU217
3.089
THR222
4.926
ALA223
4.021
ALA226
3.859
VAL227
4.569
MET233
3.542
Ligand Name: (3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone Ligand Info
Structure Description Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone PDB:3CH6
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [15]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MDRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .311 or .3112 or .3113 or :3311;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:223 or .A:226 or .A:227 or .A:230 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.885
THR124
3.791
LEU126
3.764
SER170
2.485
LEU171
4.144
ALA172
4.452
TYR177
3.575
PRO178
3.260
MET179
3.453
VAL180
3.313
Residue
Distance (Å)
TYR183
2.715
LEU215
3.631
GLY216
3.442
LEU217
3.472
ALA223
4.196
ALA226
4.426
VAL227
3.752
ILE230
4.788
VAL231
3.454
MET233
4.157
Ligand Name: 1-(3-Hydroxyazetidin-1-YL)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methoxyadamantan-2-YL]ethan-1-one Ligand Info
Structure Description CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE PDB:5PGV
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [3]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8K7 or .8K72 or .8K73 or :38K7;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:259; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.169
THR124
2.946
SER125
3.791
LEU126
3.237
SER170
2.638
LEU171
3.075
ALA172
3.235
TYR177
2.426
PRO178
4.930
MET179
4.910
VAL180
2.958
TYR183
2.764
Residue
Distance (Å)
LEU215
3.085
GLY216
2.914
LEU217
2.652
ILE218
4.806
THR220
3.971
THR222
3.583
ALA223
2.835
ALA226
2.830
VAL227
2.798
VAL231
3.406
ASP259
4.830
Ligand Name: 2-[2-(4-Fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone Ligand Info
Structure Description CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone PDB:5PGU
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [3]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8K4 or .8K42 or .8K43 or :38K4;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.534
THR124
2.640
SER125
3.377
LEU126
3.297
SER170
2.790
LEU171
3.075
ALA172
3.054
TYR177
2.782
VAL180
3.318
TYR183
2.589
Residue
Distance (Å)
LEU215
3.623
GLY216
3.432
LEU217
3.005
THR222
3.089
ALA223
2.982
ALA226
3.372
VAL227
2.850
VAL231
4.228
MET233
3.182
Ligand Name: 3-[1-(4-Chlorophenyl)cyclopropyl]-8-(2-Fluorophenoxy)[1,2,4]triazolo[4,3-A]pyridine Ligand Info
Structure Description Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine PDB:4IJV
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [13]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MDRFIN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1EN or .1EN2 or .1EN3 or :31EN;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.830
THR124
2.996
SER125
4.784
LEU126
4.062
SER170
2.580
LEU171
3.711
ALA172
4.123
TYR177
3.463
PRO178
3.835
MET179
3.664
VAL180
3.979
Residue
Distance (Å)
TYR183
2.715
LEU215
4.031
GLY216
3.527
LEU217
3.372
THR220
4.318
THR222
3.541
ALA223
3.536
ALA226
4.093
VAL227
3.448
VAL231
3.709
MET233
4.450
Ligand Name: 3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2,4]triazolo[4,3-A]pyridine Ligand Info
Structure Description Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine PDB:4IJW
Method X-ray diffraction Resolution 2.35 Å Mutation Yes [13]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MDR
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1EQ or .1EQ2 or .1EQ3 or :31EQ;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.549
THR124
4.190
LEU126
4.107
SER170
2.688
LEU171
3.955
ALA172
4.268
TYR177
3.473
PRO178
3.691
MET179
3.733
VAL180
3.843
Residue
Distance (Å)
TYR183
2.629
LEU215
3.968
GLY216
3.503
LEU217
3.348
THR222
4.226
ALA223
3.614
ALA226
4.694
VAL227
3.767
VAL231
3.642
MET233
3.847
Ligand Name: 2-[(1R,3S,5R,7S)-2-[4-(4-Fluorophenyl)phenyl]-6-hydroxyadamantan-2-YL]-1-(3-hydroxyazetidin-1-YL)ethan-1-one Ligand Info
Structure Description CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE PDB:5PGW
Method X-ray diffraction Resolution 2.37 Å Mutation Yes [3]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KA or .8KA2 or .8KA3 or :38KA;style chemicals stick;color identity;select .A:121 or .A:122 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:259; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.225
THR122
4.961
THR124
2.238
SER125
3.968
LEU126
3.267
SER170
2.838
LEU171
3.267
ALA172
3.354
TYR177
2.380
PRO178
2.294
MET179
3.112
VAL180
3.121
Residue
Distance (Å)
TYR183
2.660
LEU215
3.041
GLY216
3.299
LEU217
2.923
ILE218
4.647
THR220
4.860
THR222
3.288
ALA223
3.041
ALA226
2.778
VAL227
2.985
VAL231
3.953
ASP259
4.973
Ligand Name: 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide Ligand Info
Structure Description Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Sulfonamide Inhibitor PDB:3D4N
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [16]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSIV
231
HMQAAPKEEC
241
ALEIIKGGAL
251
RQEEVYYDSS
261
LWTTLLIRNP
271

SRKILEFLYS
281
T
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D4N or .D4N2 or .D4N3 or :3D4N;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.549
THR124
3.201
SER125
3.732
LEU126
3.721
SER170
3.388
LEU171
3.488
ALA172
3.139
TYR177
3.621
PRO178
3.152
MET179
3.908
VAL180
3.442
Residue
Distance (Å)
TYR183
3.603
LEU215
3.269
GLY216
3.376
LEU217
3.737
THR222
4.907
ALA223
3.950
ALA226
3.310
VAL227
4.048
VAL231
4.525
MET233
3.694
Ligand Name: 2-(2-Benzyl-6-hydroxyadamantan-2-YL)-1-(3-hydroxyazetidin-1-YL)ethan-1-one Ligand Info
Structure Description CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE PDB:5PGX
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [3]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPCRKI
275

LEELYSTSYN
285
MD
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8KD or .8KD2 or .8KD3 or :38KD;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233 or .A:259; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.532
THR124
2.928
SER125
4.200
LEU126
3.200
SER170
2.436
LEU171
3.308
ALA172
3.050
TYR177
2.708
VAL180
2.846
TYR183
2.551
LEU215
2.550
Residue
Distance (Å)
GLY216
3.072
LEU217
3.093
THR220
4.685
THR222
4.020
ALA223
3.075
ALA226
3.368
VAL227
3.333
VAL231
3.886
MET233
3.474
ASP259
4.734
Ligand Name: 3-(2-Fluoroethyl)-4-({4-[(2s)-1,1,1-Trifluoro-2-Hydroxypropan-2-Yl]phenyl}sulfonyl)benzonitrile Ligand Info
Structure Description Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor PDB:3OQ1
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [17]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSGI
230
VHMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260
SLWTTLLIRN
270

PSRKILEFLY
280
S
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3OQ or .3OQ2 or .3OQ3 or :33OQ;style chemicals stick;color identity;select .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:232 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
THR124
3.922
SER125
4.958
LEU126
3.189
SER170
3.589
LEU171
3.311
ALA172
3.025
TYR177
3.868
PRO178
4.800
VAL180
3.999
TYR183
3.406
Residue
Distance (Å)
LEU215
3.171
GLY216
3.943
LEU217
3.394
THR222
3.780
ALA223
3.108
ALA226
3.286
VAL227
3.656
HIS232
4.064
MET233
4.812
Ligand Name: N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide Ligand Info
Structure Description Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Benzamide Inhibitor PDB:3D3E
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [16]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSGI
230
VQAAPKEECA
242
LEIIKGGALR
252
QEEVYYDSSL
262
WTTLLIRNPS
272

RKILEFLYST
282
SY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D3E or .D3E2 or .D3E3 or :3D3E;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.054
THR124
2.523
SER125
4.140
LEU126
3.148
SER170
3.022
LEU171
3.681
ALA172
4.089
TYR177
3.700
PRO178
4.079
MET179
3.768
Residue
Distance (Å)
VAL180
4.039
TYR183
3.122
LEU215
3.245
GLY216
3.714
LEU217
4.033
THR222
3.594
ALA223
3.349
ALA226
3.096
VAL227
4.536
Ligand Name: N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide Ligand Info
Structure Description Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor PDB:3FCO
Method X-ray diffraction Resolution 2.65 Å Mutation Yes [18]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVSGH
232
MQAAPKEECA
242
LEIIKGGALR
252
QEEVYYDSSL
262
WTTLLIRNPS
272

RKILEFLYST
282
SYNMDRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IIG or .IIG2 or .IIG3 or :3IIG;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.495
THR124
3.456
SER125
3.760
LEU126
2.813
SER170
2.883
LEU171
4.313
ALA172
3.978
TYR177
3.726
PRO178
3.637
MET179
3.871
Residue
Distance (Å)
VAL180
3.922
TYR183
3.109
LEU215
3.492
GLY216
3.845
LEU217
3.915
THR222
3.598
ALA223
3.583
ALA226
3.157
VAL227
4.546
MET233
3.977
Ligand Name: 3,4-Dihydroquinolin-1(2h)-Yl[4-(1h-Imidazol-5-Yl)piperidin-1-Yl]methanone Ligand Info
Structure Description Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor PDB:3QQP
Method X-ray diffraction Resolution 2.72 Å Mutation Yes [19]
PDB Sequence
QQPLNEEFRP
29
EMLQGKKVIV
39
TGASKGIGRE
49
MAYHLAKMGA
59
HVVVTARSKE
69

TLQKVVSHCL
79
ELGAASAHYI
89
AGTMEDMTFA
99
EQFVAQAGKL
109
MGGLDMLILN
119

HITNTSLNLF
129
HDDIHHVRKS
139
MEVNFLSYVV
149
LTVAALPMLK
159
QSNGSIVVVS
169

SLAGKVAYPM
179
VAAYSASKFA
189
LDGFFSSIRK
199
EYSVSRVNVS
209
ITLCVLGLID
219

TETAMKAVSG
229
IVHMQAAPKE
239
ECALEIIKGG
249
ALRQEEVYYD
259
SSLWTTLLIR
269

NPSRKILEFL
279
YSTSYNMDRF
289
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S05 or .S052 or .S053 or :3S05;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.478
THR124
3.907
LEU126
4.190
SER170
2.706
LEU171
4.445
ALA172
4.298
TYR177
4.399
PRO178
4.726
VAL180
3.744
Residue
Distance (Å)
TYR183
3.130
LEU215
3.893
GLY216
3.596
LEU217
3.359
THR220
4.580
THR222
3.650
ALA223
3.936
ALA226
4.288
VAL227
4.504
Ligand Name: (5r)-2-[(2-Fluorophenyl)amino]-5-(1-Methylethyl)-1,3-Thiazol-4(5h)-One Ligand Info
Structure Description The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors PDB:2RBE
Method X-ray diffraction Resolution 1.90 Å Mutation Yes [20]
PDB Sequence
EEFRPEMLQG
34
KKVIVTGASK
44
GIGREMAYHL
54
AKMGAHVVVT
64
ARSKETLQKV
74

VSHCLELGAA
84
SAHYIAGTME
94
DMTFAEQFVA
104
QAGKLMGGLD
114
MLILNHITNT
124

SLNLFHDDIH
134
HVRKSMEVNF
144
LSYVVLTVAA
154
LPMLKQSNGS
164
IVVVSSLAGK
174

VAYPMVAAYS
184
ASKFALDGFF
194
SSIRKEYSVS
204
RVNVSITLCV
214
LGLIDTETAM
224

KAVSGIVHMQ
234
AAPKEECALE
244
IIKGGALRQE
254
EVYYDSSLWT
264
TLLIRNPSRK
274

ILEFLYSTY
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZMG or .ZMG2 or .ZMG3 or :3ZMG;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.830
THR124
4.618
LEU126
3.959
SER170
2.683
LEU171
3.900
ALA172
3.402
TYR177
3.637
VAL180
3.912
TYR183
2.579
Residue
Distance (Å)
LEU215
3.986
GLY216
3.722
LEU217
3.642
THR222
4.992
ALA223
3.874
ALA226
4.023
VAL227
3.658
VAL231
4.395
MET233
4.747
Ligand Name: 2-(2-Chloro-4-Fluorophenoxy)-2-Methyl-N-[(1r,2s,3s,5s,7s)-5-(Methylsulfonyl)-2-Adamantyl]propanamide Ligand Info
Structure Description Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor PDB:2ILT
Method X-ray diffraction Resolution 2.30 Å Mutation No [21]
PDB Sequence
QHQHQHQHQH
20
QQPNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60

VVVTARSKET
70
LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110

GGLDMLILNH
120
ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160

SNGSIVVVSS
170
LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210

TLCVLGLIDT
220
ETAMKAVSGI
230
VHMQAAPKEE
240
CALEIIKGGA
250
LRQEEVYYDS
260

SLWTTLLIRN
270
PSRKILEFLY
280
STSYN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NN1 or .NN12 or .NN13 or :3NN1;style chemicals stick;color identity;select .A:121 or .A:122 or .A:123 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.403
THR122
4.670
ASN123
4.800
THR124
3.035
LEU126
3.757
SER170
2.743
LEU171
4.263
ALA172
3.797
TYR177
3.746
PRO178
3.660
MET179
4.810
Residue
Distance (Å)
VAL180
3.711
TYR183
3.345
LEU215
3.787
GLY216
3.534
LEU217
3.535
THR222
3.228
ALA223
3.575
ALA226
3.551
VAL227
3.724
VAL231
4.029
MET233
4.289
Ligand Name: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one Ligand Info
Structure Description 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors PDB:3BYZ
Method X-ray diffraction Resolution 2.69 Å Mutation Yes [22]
PDB Sequence
EEFRPEMLQG
34
KKVIVTGASK
44
GIGREMAYHL
54
AKMGAHVVVT
64
ARSKETLQKV
74

VSHCLELGAA
84
SAHYIAGTME
94
DMTFAEQFVA
104
QAGKLMGGLD
114
MLILNHITNT
124

SLNLFHDDIH
134
HVRKSMEVNF
144
LSYVVLTVAA
154
LPMLKQSNGS
164
IVVVSSLAGK
174

VAYPMVAAYS
184
ASKFALDGFF
194
SSIRKEYSVS
204
RVNVSITLCV
214
LGLIDTETAM
224

KAVSGIVHMQ
234
AAPKEECALE
244
IIKGGALRQE
254
EVYYDSSLWT
264
TLLIRNPSRK
274

ILEFLYST
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H11 or .H112 or .H113 or :3H11;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.337
THR124
3.171
SER125
4.501
LEU126
3.972
SER170
3.442
LEU171
3.334
ALA172
2.780
TYR177
3.596
PRO178
4.522
VAL180
3.943
Residue
Distance (Å)
TYR183
2.634
LEU215
4.415
GLY216
3.897
LEU217
3.686
THR222
4.117
ALA223
3.992
ALA226
3.680
VAL227
4.589
VAL231
3.834
MET233
4.678
Ligand Name: (5s)-2-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}-5-(1-Hydroxy-1-Methylethyl)-5-Methyl-1,3-Thiazol-4(5h)-One Ligand Info
Structure Description Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model PDB:3EY4
Method X-ray diffraction Resolution 3.00 Å Mutation Yes [23]
PDB Sequence
EEFRPEMLQG
34
KKVIVTGASK
44
GIGREMAYHL
54
AKMGAHVVVT
64
ARSKETLQKV
74

VSHCLELGAA
84
SAHYIAGTME
94
DMTFAEQFVA
104
QAGKLMGGLD
114
MLILNHITNT
124

SLNLFHDDIH
134
HVRKSMEVNF
144
LSYVVLTVAA
154
LPMLKQSNGS
164
IVVVSSLAGK
174

VAYPMVAAYS
184
ASKFALDGFF
194
SSIRKEYSVS
204
RVNVSITLCV
214
LGLIDTETAM
224

KAVSGIVHMQ
234
AAPKEECALE
244
IIKGGALRQE
254
EVYYDSSLWT
264
TLLIRNPSRK
274

ILEFLYSTS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .352 or .3522 or .3523 or :3352;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:173 or .A:177 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:223 or .A:226 or .A:227 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.892
THR124
3.372
SER125
2.971
LEU126
3.434
SER170
3.112
LEU171
3.326
ALA172
2.629
GLY173
4.970
TYR177
3.517
MET179
4.900
Residue
Distance (Å)
VAL180
3.731
TYR183
2.880
LEU215
4.185
GLY216
3.660
LEU217
3.574
ALA223
4.566
ALA226
4.032
VAL227
3.894
VAL231
4.673
Ligand Name: N-[trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N-Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy-1-Methylethyl]benzamide Ligand Info
Structure Description Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor PDB:3PDJ
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [24]
PDB Sequence
QQPLNEEFRP
29
EMLQGKKVIV
39
TGASKGIGRE
49
MAYHLAKMGA
59
HVVVTARSKE
69

TLQKVVSHCL
79
ELGAASAHYI
89
AGTMEDMTFA
99
EQFVAQAGKL
109
MGGLDMLILN
119

HITNTSLNLF
129
HDDIHHVRKS
139
MEVNFLSYVV
149
LTVAALPMLK
159
QSNGSIVVVS
169

SLAGKVAYPM
179
VAAYSASKFA
189
LDGFFSSIRK
199
EYSVSRVNVS
209
ITLCVLGLID
219

TETAMKAVSG
229
IVHMQAAPKE
239
ECALEIIKGG
249
ALRQEEVYYD
259
SSLWTTLLIR
269

NPSRKILEFL
279
YSTSYNMDRF
289
IN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3PJ or .3PJ2 or .3PJ3 or :33PJ;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:230 or .A:233; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.069
THR124
3.420
SER125
3.851
LEU126
3.324
SER170
2.726
LEU171
4.064
ALA172
3.976
TYR177
3.653
PRO178
4.328
MET179
3.688
VAL180
4.235
Residue
Distance (Å)
TYR183
2.746
LEU215
3.430
GLY216
3.699
LEU217
3.912
THR222
3.585
ALA223
3.375
ALA226
3.156
VAL227
3.818
ILE230
3.979
MET233
3.878
Ligand Name: 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole Ligand Info
Structure Description Crystal Structure of 11b-HSD1 in Complex with Triazole Inhibitor PDB:3D5Q
Method X-ray diffraction Resolution 2.55 Å Mutation Yes [25]
PDB Sequence
QPLNEEFRPE
30
MLQGKKVIVT
40
GASKGIGREM
50
AYHLAKMGAH
60
VVVTARSKET
70

LQKVVSHCLE
80
LGAASAHYIA
90
GTMEDMTFAE
100
QFVAQAGKLM
110
GGLDMLILNH
120

ITNTSLNLFH
130
DDIHHVRKSM
140
EVNFLSYVVL
150
TVAALPMLKQ
160
SNGSIVVVSS
170

LAGKVAYPMV
180
AAYSASKFAL
190
DGFFSSIRKE
200
YSVSRVNVSI
210
TLCVLGLIDT
220

ETAMKAVMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSLWTT
265
LLIRNPSRKI
275

LEFLYSTSYN
285
MDRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T30 or .T302 or .T303 or :3T30;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:175 or .A:176 or .A:177 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:223 or .A:226 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
4.293
THR124
3.380
SER125
2.644
LEU126
2.970
SER170
2.880
LEU171
3.121
ALA172
3.690
VAL175
3.578
ALA176
4.734
TYR177
3.149
Residue
Distance (Å)
MET179
4.352
VAL180
3.773
TYR183
2.867
LEU215
4.059
GLY216
4.362
LEU217
4.338
ALA223
3.954
ALA226
3.787
VAL227
3.780
Ligand Name: 2-Ethyl-N-[(1s,3r)-5-Oxidanyl-2-Adamantyl]-4-[(2r)-Oxolan-2-Yl]-1,3-Thiazole-5-Carboxamide Ligand Info
Structure Description 11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor PDB:4C7K
Method X-ray diffraction Resolution 1.91 Å Mutation Yes [26]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPLVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPSRKI
275

LEELYSTS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DZL or .DZL2 or .DZL3 or :3DZL;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233 or .A:259; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.818
THR124
3.662
LEU126
3.675
SER170
2.688
LEU171
3.701
ALA172
4.314
TYR177
3.525
PRO178
4.611
VAL180
3.765
TYR183
2.730
Residue
Distance (Å)
LEU215
3.821
GLY216
3.913
LEU217
3.940
THR222
3.548
ALA223
3.815
ALA226
3.723
VAL227
4.060
VAL231
3.901
MET233
3.845
ASP259
4.444
Ligand Name: 4-Cyclopropyl-2-(2-Hydroxyethyloxy)-N-[(1s,3r)-5-Oxidanyl-2-Adamantyl]-1,3-Thiazole-5-Carboxamide Ligand Info
Structure Description 11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor PDB:4C7J
Method X-ray diffraction Resolution 2.16 Å Mutation Yes [26]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPLVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPSRKI
275

LEELYSTSYN
285
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YQ or .4YQ2 or .4YQ3 or :34YQ;style chemicals stick;color identity;select .A:121 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231 or .A:233 or .A:234 or .A:259; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.725
THR124
3.711
LEU126
3.945
SER170
2.825
LEU171
3.772
ALA172
4.515
TYR177
3.558
VAL180
3.783
TYR183
2.736
LEU215
3.499
Residue
Distance (Å)
GLY216
3.433
LEU217
3.013
THR222
3.832
ALA223
3.740
ALA226
3.730
VAL227
4.218
VAL231
4.215
MET233
3.422
GLN234
4.814
ASP259
2.483
Ligand Name: (1s,3r,4s,5s,7s)-4-{[2-(4-Methoxyphenoxy)-2-Methylpropanoyl]amino}adamantane-1-Carboxamide Ligand Info
Structure Description Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor PDB:2IRW
Method X-ray diffraction Resolution 3.10 Å Mutation No [27]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPMVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSLWTT
265
LLIRNPSRKI
275

LEFLYSTSYN
285
MDRF
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NN4 or .NN42 or .NN43 or :3NN4;style chemicals stick;color identity;select .A:121 or .A:122 or .A:124 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:179 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:231; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.355
THR122
4.940
THR124
3.409
LEU126
3.771
SER170
2.810
LEU171
4.496
ALA172
3.700
TYR177
3.396
PRO178
3.092
MET179
4.657
VAL180
4.027
Residue
Distance (Å)
TYR183
3.159
LEU215
4.059
GLY216
4.011
LEU217
3.810
THR220
4.972
THR222
3.569
ALA223
3.763
ALA226
3.807
VAL227
3.724
VAL231
3.396
Ligand Name: N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Ligand Info
Structure Description 11B-HYDROXYSTEROID DEHYDROGENASE TYPE I IN COMPLEX WITH INHIBITOR PDB:4YYZ
Method X-ray diffraction Resolution 3.20 Å Mutation No [28]
PDB Sequence
EFRPEMLQGK
35
KVIVTGASKG
45
IGREMAYHLA
55
KMGAHVVVTA
65
RSKETLQKVV
75

SHCLELGAAS
85
AHYIAGTMED
95
MTFAEQFVAQ
105
AGKLMGGLDM
115
LILNHITNTS
125

LNLFHDDIHH
135
VRKSMEVNFL
145
SYVVLTVAAL
155
PMLKQSNGSI
165
VVVSSLAGKV
175

AYPLVAAYSA
185
SKFALDGFFS
195
SIRKEYSVSR
205
VNVSITLCVL
215
GLIDTETAMK
225

AVSGIVHMQA
235
APKEECALEI
245
IKGGALRQEE
255
VYYDSSRWTT
265
LLIRNPSRKI
275

LEELYSTSY
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4JX or .4JX2 or .4JX3 or :34JX;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:126 or .A:170 or .A:171 or .A:172 or .A:177 or .A:178 or .A:180 or .A:183 or .A:215 or .A:216 or .A:217 or .A:222 or .A:223 or .A:226 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE121
3.406
THR124
3.085
SER125
4.470
LEU126
3.296
SER170
3.045
LEU171
2.980
ALA172
4.754
TYR177
2.907
PRO178
3.675
Residue
Distance (Å)
VAL180
2.856
TYR183
2.667
LEU215
2.693
GLY216
3.381
LEU217
3.095
THR222
3.365
ALA223
2.796
ALA226
2.936
VAL227
4.363
References  Top
REF 1 Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD-1). ACS Med Chem Lett. 2018 Nov 13;9(12):1170-1174.
REF 2 Discovery of a potent, selective, and orally bioavailable acidic 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017). J Med Chem. 2012 Jun 28;55(12):5951-64.
REF 3 Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem. 2017 Jun 22;60(12):4932-4948.
REF 4 Novel acidic 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J Med Chem. 2012 Nov 26;55(22):10136-47.
REF 5 Conformational flexibility in crystal structures of human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation. J Biol Chem. 2005 Feb 11;280(6):4639-48.
REF 6 Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1). Bioorg Med Chem Lett. 2011 Nov 15;21(22):6693-8.
REF 7 Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model. J Med Chem. 2009 Sep 10;52(17):5449-61.
REF 8 The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture
REF 9 Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors. J Med Chem. 2012 Dec 13;55(23):10652-61.
REF 10 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11?-HSD1 inhibitors for the treatment of diabetes. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4685-91.
REF 11 Discovery of SAR184841, a potent and long-lasting inhibitor of 11-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D. Bioorg Med Chem Lett. 2013 Apr 15;23(8):2414-21.
REF 12 Structural characterization and pharmacodynamic effects of an orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor. Chem Biol Drug Des. 2008 Jan;71(1):36-44.
REF 13 Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11-Hydroxysteroid Dehydrogenase Type 1 (11-HSD-1). ACS Med Chem Lett. 2014 May 22;5(7):803-8.
REF 14 Discovery and initial SAR of arylsulfonylpiperazine inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1). Bioorg Med Chem Lett. 2008 Jun 15;18(12):3513-6.
REF 15 Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3168-72.
REF 16 Discovery of novel, potent benzamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) exhibiting oral activity in an enzyme inhibition ex vivo model. J Med Chem. 2008 Jul 10;51(13):3953-60.
REF 17 The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2010 Dec 1;20(23):7071-5.
REF 18 Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2009 Mar 1;19(5):1446-50.
REF 19 Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1. Bioorg Med Chem Lett. 2011 Apr 15;21(8):2244-51.
REF 20 The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6056-61.
REF 21 Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg Med Chem Lett. 2007 Jan 15;17(2):527-32.
REF 22 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure an... J Med Chem. 2008 May 22;51(10):2933-43.
REF 23 Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
REF 24 Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2011 Jan 1;21(1):405-10.
REF 25 Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1. Bioorg Med Chem. 2008 Oct 1;16(19):8922-31.
REF 26 Optimization of brain penetrant 11beta-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem. 2014 Feb 13;57(3):970-86.
REF 27 Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg Med Chem Lett. 2007 Feb 1;17(3):750-5.
REF 28 Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential.. doi:10.1039/C5MD00043B.

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