Target Information
| Target General Information | Top | |||||
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| Target ID |
T80896
(Former ID: TTDS00250)
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| Target Name |
Estrogen receptor beta (ESR2)
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| Synonyms |
Oestrogen receptor beta; Nuclear receptor subfamily 3 group A member 2; NR3A2; Erbeta; ESTRB; ER-beta; Beta-1
Click to Show/Hide
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| Gene Name |
ESR2
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| Target Type |
Successful target
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[1] | ||||
| Disease | [+] 4 Target-related Diseases | + | ||||
| 1 | Breast cancer [ICD-11: 2C60-2C6Y] | |||||
| 2 | Cushing syndrome [ICD-11: 5A70] | |||||
| 3 | Menopausal disorder [ICD-11: GA30] | |||||
| 4 | Vasomotor/allergic rhinitis [ICD-11: CA08] | |||||
| Function |
Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent manner. Isoform beta-cx lacks ligand binding ability and has no or only very low ere binding activity resulting in the loss of ligand-dependent transactivation ability. DNA-binding by ESR1 and ESR2 is rapidly lost at 37 degrees Celsius in the absence of ligand while in the presence of 17 beta-estradiol and 4-hydroxy-tamoxifen loss in DNA-binding at elevated temperature is more gradual. Nuclear hormone receptor.
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| BioChemical Class |
Nuclear hormone receptor
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| UniProt ID | ||||||
| Sequence |
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ Click to Show/Hide
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| 3D Structure | Click to Show 3D Structure of This Target | AlphaFold | ||||
| HIT2.0 ID | T05O6O | |||||
| Drugs and Modes of Action | Top | |||||
|---|---|---|---|---|---|---|
| Approved Drug(s) | [+] 4 Approved Drugs | + | ||||
| 1 | ARZOXIFENE | Drug Info | Approved | Breast cancer | [2], [3] | |
| 2 | Conjugated Estrogens | Drug Info | Approved | Menopause symptom | [4] | |
| 3 | Estrogen | Drug Info | Approved | Menopause symptom | [5] | |
| 4 | Trilostane | Drug Info | Approved | Cushing disease | [6], [7] | |
| Clinical Trial Drug(s) | [+] 8 Clinical Trial Drugs | + | ||||
| 1 | MF-101 | Drug Info | Phase 3 | Hepatitis virus infection | [8] | |
| 2 | Premarin/Pravachol | Drug Info | Phase 3 | Hyperlipidaemia | [9] | |
| 3 | Genistein | Drug Info | Phase 2/3 | Menopause symptom | [10] | |
| 4 | AUS-131 | Drug Info | Phase 2 | Hot flushes | [11] | |
| 5 | ERB-041 | Drug Info | Phase 2 | Inflammatory bowel disease | [12], [13] | |
| 6 | Erteberel | Drug Info | Phase 2 | Prostate hyperplasia | [14] | |
| 7 | VG-101 | Drug Info | Phase 1/2 | Menopause symptom | [15] | |
| 8 | ERB-257 | Drug Info | Phase 1 | Sepsis | [16] | |
| Discontinued Drug(s) | [+] 8 Discontinued Drugs | + | ||||
| 1 | BITHIONOL | Drug Info | Withdrawn from market | Trematode infection | [5], [17] | |
| 2 | HEXESTROL | Drug Info | Withdrawn from market | Irregularities | [18], [19], [20] | |
| 3 | EM-800 | Drug Info | Discontinued in Phase 3 | Estrogen deficiency | [21] | |
| 4 | ERA-923 | Drug Info | Discontinued in Phase 2 | Breast cancer | [22] | |
| 5 | ERB-196 | Drug Info | Discontinued in Phase 1 | Inflammatory bowel disease | [23] | |
| 6 | HE2100 | Drug Info | Discontinued in Phase 1 | Thrombocytopenia | [24] | |
| 7 | ICI-164384 | Drug Info | Terminated | Breast cancer | [25] | |
| 8 | ZK-119010 | Drug Info | Terminated | Carcinoma | [26] | |
| Mode of Action | [+] 4 Modes of Action | + | ||||
| Inhibitor | [+] 158 Inhibitor drugs | + | ||||
| 1 | ARZOXIFENE | Drug Info | [27] | |||
| 2 | NARINGENIN | Drug Info | [38] | |||
| 3 | BITHIONOL | Drug Info | [39] | |||
| 4 | HEXESTROL | Drug Info | [40] | |||
| 5 | ERA-923 | Drug Info | [42] | |||
| 6 | HE2100 | Drug Info | [44] | |||
| 7 | ICI-164384 | Drug Info | [45] | |||
| 8 | LY-117018 | Drug Info | [46] | |||
| 9 | ZK-119010 | Drug Info | [47] | |||
| 10 | 1,2-Bis-(4-hydroxy-phenyl)-3H-inden-5-ol | Drug Info | [48] | |||
| 11 | 1,8-Dichloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 12 | 1-Bromo-6-(4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 13 | 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL | Drug Info | [49], [50] | |||
| 14 | 1-Fluoro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 15 | 2,3-diphenyl-1H-indole | Drug Info | [51] | |||
| 16 | 2-(2-Chloro-4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 17 | 2-(3-Butoxy-4-hydroxy-phenyl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 18 | 2-(3-Chloro-4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 19 | 2-(3-Chloro-4-hydroxy-phenyl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 20 | 2-(3-Fluoro-4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 21 | 2-(3-Fluoro-4-hydroxy-phenyl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 22 | 2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol | Drug Info | [53] | |||
| 23 | 2-(3-hydroxyphenyl)-1,2'-spirobi[1H-indene]-6-ol | Drug Info | [53] | |||
| 24 | 2-(4-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 25 | 2-(4-Hydroxy-phenyl)-1-p-tolyl-3H-inden-5-ol | Drug Info | [48] | |||
| 26 | 2-(4-Hydroxy-phenyl)-4-methoxy-quinolin-6-ol | Drug Info | [54] | |||
| 27 | 2-(4-Hydroxy-phenyl)-4-vinyl-quinolin-6-ol | Drug Info | [54] | |||
| 28 | 2-(4-Hydroxy-phenyl)-7-isopropyl-benzooxazol-5-ol | Drug Info | [52] | |||
| 29 | 2-(4-Hydroxy-phenyl)-7-methoxy-benzofuran-5-ol | Drug Info | [55] | |||
| 30 | 2-(4-Hydroxy-phenyl)-7-methoxy-benzooxazol-5-ol | Drug Info | [52] | |||
| 31 | 2-(4-Hydroxy-phenyl)-7-methyl-benzofuran-5-ol | Drug Info | [55] | |||
| 32 | 2-(4-Hydroxy-phenyl)-7-phenyl-benzooxazol-5-ol | Drug Info | [52] | |||
| 33 | 2-(4-Hydroxy-phenyl)-7-propenyl-benzooxazol-5-ol | Drug Info | [52] | |||
| 34 | 2-(4-Hydroxy-phenyl)-7-propyl-benzooxazol-5-ol | Drug Info | [52] | |||
| 35 | 2-(4-Hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol | Drug Info | [52] | |||
| 36 | 2-(4-Hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 37 | 2-(4-Hydroxy-phenyl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 38 | 2-(4-Hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 39 | 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL | Drug Info | [50], [52] | |||
| 40 | 2-(4-hydroxyphenyl)-1,2'-spirobi[1H-indene]-5-ol | Drug Info | [53] | |||
| 41 | 2-(5-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 42 | 2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 43 | 2-(6-Hydroxy-naphthalen-1-yl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 44 | 2-(6-Hydroxy-naphthalen-2-yl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 45 | 2-(6-Hydroxy-naphthalen-2-yl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 46 | 2-Naphthalen-1-yl-benzooxazol-6-ol | Drug Info | [52] | |||
| 47 | 2-phenyl-1,2'-spirobi[1H-indene]-5'-ol | Drug Info | [53] | |||
| 48 | 3'-Methoxy-4'Hydroxyclomiphene | Drug Info | [56] | |||
| 49 | 3,4,6-Trihydroxy-2-(4-hydroxy-phenyl)-inden-1-one | Drug Info | [57] | |||
| 50 | 3,6-Dihydroxy-2-(4-hydroxy-phenyl)-inden-1-one | Drug Info | [57] | |||
| 51 | 3,8-dihydroxy-4-methyl-6H-benzo[c]chromen-6-one | Drug Info | [58] | |||
| 52 | 3,8-dihydroxy-7-methyl-6H-benzo[c]chromen-6-one | Drug Info | [58] | |||
| 53 | 3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol | Drug Info | [52] | |||
| 54 | 3-(4-Hydroxy-phenyl)-4H-chromen-7-ol | Drug Info | [59] | |||
| 55 | 3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol | Drug Info | [52] | |||
| 56 | 3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol | Drug Info | [52] | |||
| 57 | 3-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol | Drug Info | [52] | |||
| 58 | 3-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol | Drug Info | [52] | |||
| 59 | 3-chloro-4-(4-hydroxyphenyl)salicylaldoxime | Drug Info | [60] | |||
| 60 | 3-hydroxy-4,10-dimethyl-6H-benzo[c]chromen-6-one | Drug Info | [58] | |||
| 61 | 3-hydroxy-4,7-dimethyl-6H-benzo[c]chromen-6-one | Drug Info | [58] | |||
| 62 | 3-hydroxy-4-methyl-6H-benzo[c]chromen-6-one | Drug Info | [58] | |||
| 63 | 3-hydroxy-8,10-dimethyl-6H-benzo[c]chromen-6-one | Drug Info | [58] | |||
| 64 | 3-[1-ethyl-2-(3-hydroxyphenyl)butyl]phenol | Drug Info | [61] | |||
| 65 | 4',5,7-trihydroxy-6,8-dimethylisoflavone | Drug Info | [62] | |||
| 66 | 4,10-dimethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 67 | 4,6,10-trimethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 68 | 4,6,6,7-tetramethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 69 | 4,6,7,10-tetramethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 70 | 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 71 | 4,7-dimethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 72 | 4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol | Drug Info | [51] | |||
| 73 | 4-(2-phenyl-1H-indol-3-yl)phenol | Drug Info | [51] | |||
| 74 | 4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)phenol | Drug Info | [51] | |||
| 75 | 4-(3-phenyl-1H-indol-2-yl)phenol | Drug Info | [51] | |||
| 76 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | Drug Info | [50] | |||
| 77 | 4-(5-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol | Drug Info | [52] | |||
| 78 | 4-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,2-diol | Drug Info | [52] | |||
| 79 | 4-(6-Hydroxy-benzooxazol-2-yl)-benzene-1,3-diol | Drug Info | [52] | |||
| 80 | 4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol | Drug Info | [52] | |||
| 81 | 4-Bromo-2-(4-hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 82 | 4-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 83 | 4-Ethyl-2-(4-hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 84 | 4-Ethynyl-2-(4-hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 85 | 4-Naphthalen-2-yl-phenol | Drug Info | [49] | |||
| 86 | 4-[1,2-bis(4-hydroxyphenyl)but-1-enyl]phenol | Drug Info | [63] | |||
| 87 | 4-[1,2-bis(4-hydroxyphenyl)hex-1-enyl]phenol | Drug Info | [63] | |||
| 88 | 4-[1,2-bis(4-hydroxyphenyl)pent-1-enyl]phenol | Drug Info | [63] | |||
| 89 | 4-[1,2-bis(4-hydroxyphenyl)vinyl]phenol | Drug Info | [63] | |||
| 90 | 4-[2,2-bis(4-hydroxyphenyl)-1-methylvinyl]phenol | Drug Info | [63] | |||
| 91 | 5,7-dihydroxy-3-phenyl-3H-quinazolin-4-one | Drug Info | [64] | |||
| 92 | 5-Bromo-2-(4-hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 93 | 5-Chloro-2-(4-hydroxy-phenyl)-benzooxazol-6-ol | Drug Info | [52] | |||
| 94 | 5-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol | Drug Info | [54] | |||
| 95 | 6-(2,5-Difluoro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 96 | 6-(2,6-Difluoro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 97 | 6-(2-Chloro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 98 | 6-(2-Fluoro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 99 | 6-(2-Hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 100 | 6-(3,5-Difluoro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 101 | 6-(3-Chloro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 102 | 6-(3-Fluoro-4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 103 | 6-(3-Hydroxy-phenyl)-naphthalen-1-ol | Drug Info | [49] | |||
| 104 | 6-(3-Hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 105 | 6-(4-Hydroxy-2-methoxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 106 | 6-(4-Hydroxy-2-methyl-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 107 | 6-(4-Hydroxy-phenyl)-1-methoxy-naphthalen-2-ol | Drug Info | [49] | |||
| 108 | 6-(4-Hydroxy-phenyl)-1-methyl-naphthalen-2-ol | Drug Info | [49] | |||
| 109 | 6-(4-Hydroxy-phenyl)-1-nitro-naphthalen-2-ol | Drug Info | [49] | |||
| 110 | 6-(4-Hydroxy-phenyl)-1-phenyl-naphthalen-2-ol | Drug Info | [49] | |||
| 111 | 6-(4-Hydroxy-phenyl)-naphthalen-1-ol | Drug Info | [49] | |||
| 112 | 6-(4-Hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [54] | |||
| 113 | 6-Chloro-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 114 | 6-ethyl-4,7-dimethyl-6H-benzo[c]chromene-3,8-diol | Drug Info | [58] | |||
| 115 | 6-Phenyl-naphthalen-2-ol | Drug Info | [49] | |||
| 116 | 7-(3-Hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 117 | 7-(4-Hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 118 | 7-Allyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 119 | 7-Bromo-2-(4-hydroxy-phenyl)-benzofuran-5-ol | Drug Info | [55] | |||
| 120 | 7-Butyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 121 | 7-Chloro-2-(4-hydroxy-phenyl)-benzofuran-5-ol | Drug Info | [55] | |||
| 122 | 7-Ethyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 123 | 7-Ethynyl-2-(4-hydroxy-phenyl)-benzooxazol-5-ol | Drug Info | [52] | |||
| 124 | 7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one | Drug Info | [65] | |||
| 125 | 7-hydroxy-3-(4-hydroxyphenyl)-3H-quinazolin-4-one | Drug Info | [64] | |||
| 126 | 7-Phenyl-naphthalen-2-ol | Drug Info | [49] | |||
| 127 | 8-(2,2-dimethylpropyl)naringenin | Drug Info | [38] | |||
| 128 | 8-(2-methylpropyl)naringenin | Drug Info | [38] | |||
| 129 | 8-(3-methylbutyl)naringenin | Drug Info | [38] | |||
| 130 | 8-benzylnaringenin | Drug Info | [38] | |||
| 131 | 8-Chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 132 | 8-Fluoro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | Drug Info | [49] | |||
| 133 | 8-methylnaringenin | Drug Info | [38] | |||
| 134 | 8-n-heptylnaringenin | Drug Info | [38] | |||
| 135 | 8-n-nonylnaringenin | Drug Info | [38] | |||
| 136 | 8-n-pentylnaringenin | Drug Info | [38] | |||
| 137 | 8-n-propylnaringenin | Drug Info | [38] | |||
| 138 | 8-n-undecylnaringenin | Drug Info | [38] | |||
| 139 | Acetate Ion | Drug Info | [66] | |||
| 140 | BROUSSONIN A | Drug Info | [68] | |||
| 141 | COUMESTROL | Drug Info | [59] | |||
| 142 | CP-394531 | Drug Info | [69] | |||
| 143 | CP-409069 | Drug Info | [69] | |||
| 144 | daidzein | Drug Info | [62] | |||
| 145 | DIHYDRORALOXIFENE | Drug Info | [71] | |||
| 146 | Doxorubicin-Formaldehyde Conjugate | Drug Info | [72] | |||
| 147 | EFFUSOL | Drug Info | [58] | |||
| 148 | Geldanamycin-estradiol hybrid | Drug Info | [74] | |||
| 149 | GNF-PF-3037 | Drug Info | [39] | |||
| 150 | MORIN | Drug Info | [39] | |||
| 151 | Nafoxidine | Drug Info | [76] | |||
| 152 | Para-Mercury-Benzenesulfonic Acid | Drug Info | [66] | |||
| 153 | SOPHORAFLAVANONE B | Drug Info | [38] | |||
| 154 | THIOGENISTEIN | Drug Info | [64] | |||
| 155 | TUPICHINOL C | Drug Info | [68] | |||
| 156 | WAY-169916 | Drug Info | [80] | |||
| 157 | ZK-164015 | Drug Info | [81] | |||
| 158 | [1,1':2',1'']Terphenyl-4'-carbaldehyde oxime | Drug Info | [82] | |||
| Antagonist | [+] 7 Antagonist drugs | + | ||||
| 1 | Conjugated Estrogens | Drug Info | [1], [28] | |||
| 2 | MF-101 | Drug Info | [31] | |||
| 3 | EM-800 | Drug Info | [41] | |||
| 4 | HPTE | Drug Info | [75] | |||
| 5 | PHTPP | Drug Info | [77] | |||
| 6 | R,R-THC | Drug Info | [78] | |||
| 7 | Trans-hydroxytamoxifen | Drug Info | [79] | |||
| Agonist | [+] 14 Agonist drugs | + | ||||
| 1 | Estrogen | Drug Info | [29] | |||
| 2 | AUS-131 | Drug Info | [33] | |||
| 3 | ERB-041 | Drug Info | [5], [34] | |||
| 4 | Erteberel | Drug Info | [35] | |||
| 5 | VG-101 | Drug Info | [36] | |||
| 6 | ERB-257 | Drug Info | [37] | |||
| 7 | ERB-196 | Drug Info | [43] | |||
| 8 | bisphenol A | Drug Info | [67] | |||
| 9 | diarylpropionitril | Drug Info | [70] | |||
| 10 | ERB-002 | Drug Info | [73] | |||
| 11 | GTx-878 | Drug Info | [73] | |||
| 12 | KB-9520 | Drug Info | [73] | |||
| 13 | NDC-1022 | Drug Info | [73] | |||
| 14 | WAY200070 | Drug Info | [52] | |||
| Modulator | [+] 4 Modulator drugs | + | ||||
| 1 | Trilostane | Drug Info | [30] | |||
| 2 | Premarin/Pravachol | Drug Info | [9] | |||
| 3 | Genistein | Drug Info | [32] | |||
| 4 | GTx-822 | Drug Info | [73] | |||
| Cell-based Target Expression Variations | Top | |||||
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| Cell-based Target Expression Variations | ||||||
| Drug Binding Sites of Target | Top | |||||
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| Ligand Name: Estradiol | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated estrogen receptor beta ligand binding domain | PDB:3OLL | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [83] |
| PDB Sequence |
ALSPEQLVLT
271 LLEAEPPHVL281 ISRPSAPFTE291 ASMMMSLTKL301 ADKELVHMIS311 WAKKIPGFVE 321 LSLFDQVRLL331 ESCWMEVLMM341 GLMWRSIDHP351 GKLIFAPDLV361 LDRDEGKCVE 371 GILEIFDMLL381 ATTSRFRELK391 LQHKEYLCVK401 AMILLNSSMY411 PLVTATADSS 423 RKLAHLLNAV433 TDALVWVIAK443 SGISSQQQSM453 RLANLLMLLS463 HVRHASNKGM 473 EHLLNMKCKN483 VVPVDLLLEM494 LNAH
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Genistein | Ligand Info | |||||
| Structure Description | HUMAN OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PARTIAL AGONIST GENISTEIN | PDB:1QKM | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [84] |
| PDB Sequence |
LDALSPEQLV
269 LTLLEAEPPH279 VLISRPASMM295 MSLTKLADKE305 LVHMISWAKK315 IPGFVELSLF 325 DQVRLLESCW335 MEVLMMGLMW345 RSIDHPGKLI355 FAPDLVLDRD365 EGKCVEGILE 375 IFDMLLATTS385 RFRELKLQHK395 EYLCVKAMIL405 LNSSMYPLVA420 DSSRKLAHLL 430 NAVTDALVWV440 IAKSGISSQQ450 QSMRLANLLM460 LLSHVRHASN470 KGMEHLLNMK 480 CKNVVPVYDL490 LLEMLNAHVL500
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Click to View More Binding Site Information of This Target with Different Ligands | ||||||
| Different Human System Profiles of Target | Top |
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Human Similarity Proteins
of target is determined by comparing the sequence similarity of all human proteins with the target based on BLAST. The similarity proteins for a target are defined as the proteins with E-value < 0.005 and outside the protein families of the target.
A target that has fewer human similarity proteins outside its family is commonly regarded to possess a greater capacity to avoid undesired interactions and thus increase the possibility of finding successful drugs
(Brief Bioinform, 21: 649-662, 2020).
Human Pathway Affiliation
of target is determined by the life-essential pathways provided on KEGG database. The target-affiliated pathways were defined based on the following two criteria (a) the pathways of the studied target should be life-essential for both healthy individuals and patients, and (b) the studied target should occupy an upstream position in the pathways and therefore had the ability to regulate biological function.
Targets involved in a fewer pathways have greater likelihood to be successfully developed, while those associated with more human pathways increase the chance of undesirable interferences with other human processes
(Pharmacol Rev, 58: 259-279, 2006).
Biological Network Descriptors
of target is determined based on a human protein-protein interactions (PPI) network consisting of 9,309 proteins and 52,713 PPIs, which were with a high confidence score of ≥ 0.95 collected from STRING database.
The network properties of targets based on protein-protein interactions (PPIs) have been widely adopted for the assessment of target’s druggability. Proteins with high node degree tend to have a high impact on network function through multiple interactions, while proteins with high betweenness centrality are regarded to be central for communication in interaction networks and regulate the flow of signaling information
(Front Pharmacol, 9, 1245, 2018;
Curr Opin Struct Biol. 44:134-142, 2017).
Human Similarity Proteins
Human Pathway Affiliation
Biological Network Descriptors
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There is no similarity protein (E value < 0.005) for this target
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| KEGG Pathway | Pathway ID | Affiliated Target | Pathway Map |
|---|---|---|---|
| Estrogen signaling pathway | hsa04915 | Affiliated Target |
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| Class: Organismal Systems => Endocrine system | Pathway Hierarchy | ||
| Prolactin signaling pathway | hsa04917 | Affiliated Target |
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| Class: Organismal Systems => Endocrine system | Pathway Hierarchy | ||
| GnRH secretion | hsa04929 | Affiliated Target |
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| Class: Organismal Systems => Endocrine system | Pathway Hierarchy | ||
| Degree | 15 | Degree centrality | 1.61E-03 | Betweenness centrality | 2.99E-04 |
|---|---|---|---|---|---|
| Closeness centrality | 2.50E-01 | Radiality | 1.44E+01 | Clustering coefficient | 2.86E-01 |
| Neighborhood connectivity | 5.67E+01 | Topological coefficient | 1.04E-01 | Eccentricity | 11 |
| Download | Click to Download the Full PPI Network of This Target | ||||
| Chemical Structure based Activity Landscape of Target | Top |
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| Drug Property Profile of Target | Top | |
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| (1) Molecular Weight (mw) based Drug Clustering | (2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering | |
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| (3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering | (4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering | |
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| (5) Rotatable Bond Count (rotbonds) based Drug Clustering | (6) Topological Polar Surface Area (polararea) based Drug Clustering | |
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| "RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five | ||
| Co-Targets | Top | |||||
|---|---|---|---|---|---|---|
| Co-Targets | ||||||
| Target Poor or Non Binders | Top | |||||
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| Target Poor or Non Binders | ||||||
| Target Regulators | Top | |||||
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| Target-regulating microRNAs | ||||||
| Target-interacting Proteins | ||||||
| Target Profiles in Patients | Top | |||||
|---|---|---|---|---|---|---|
| Target Expression Profile (TEP) | ||||||
| Target Affiliated Biological Pathways | Top | |||||
|---|---|---|---|---|---|---|
| KEGG Pathway | [+] 2 KEGG Pathways | + | ||||
| 1 | Estrogen signaling pathway | |||||
| 2 | Prolactin signaling pathway | |||||
| PID Pathway | [+] 3 PID Pathways | + | ||||
| 1 | Plasma membrane estrogen receptor signaling | |||||
| 2 | Validated nuclear estrogen receptor beta network | |||||
| 3 | Validated nuclear estrogen receptor alpha network | |||||
| Reactome | [+] 1 Reactome Pathways | + | ||||
| 1 | Nuclear Receptor transcription pathway | |||||
| WikiPathways | [+] 4 WikiPathways | + | ||||
| 1 | SIDS Susceptibility Pathways | |||||
| 2 | Ovarian Infertility Genes | |||||
| 3 | Integrated Pancreatic Cancer Pathway | |||||
| 4 | Nuclear Receptors | |||||
| Target-Related Models and Studies | Top | |||||
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| Target Validation | ||||||
| Target QSAR Model | ||||||
| References | Top | |||||
|---|---|---|---|---|---|---|
| REF 1 | Differential biochemical and cellular actions of Premarin estrogens: distinct pharmacology of bazedoxifene-conjugated estrogens combination. Mol Endocrinol. 2009 Jan;23(1):74-85. | |||||
| REF 2 | Clinical pipeline report, company report or official report of Lilly. | |||||
| REF 3 | ClinicalTrials.gov (NCT00190697) A Study of LY353381 (Arzoxifene) for Patients Who Benefitted From This Drug in Other Oncology Trials and Wished to Continue Treatment. U.S. National Institutes of Health. | |||||
| REF 4 | ClinicalTrials.gov (NCT01613170) Premarin Versus Toviaz for Treatment of Overactive Bladder. U.S. National Institutes of Health. | |||||
| REF 5 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||||
| REF 6 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6850). | |||||
| REF 7 | FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 018719. | |||||
| REF 8 | ClinicalTrials.gov (NCT00906308) A Study of MF101 in Postmenopausal Women. U.S. National Institutes of Health. | |||||
| REF 9 | Lovastatin and beyond: the history of the HMG-CoA reductase inhibitors. Nat Rev Drug Discov. 2003 Jul;2(7):517-26. | |||||
| REF 10 | ClinicalTrials.gov (NCT00355953) Vascular and Skeletal Protective Effects of Genistein in Postmenopausal Women. U.S. National Institutes of Health. | |||||
| REF 11 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800030256) | |||||
| REF 12 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6700). | |||||
| REF 13 | ClinicalTrials.gov (NCT00318500) Study Evaluating the Safety and Efficacy of ERB-041 on Reduction of Symptoms Associated With Endometriosis in Reproductive-Aged Women. U.S. National Institutes of Health. | |||||
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| REF 15 | ClinicalTrials.gov (NCT00453089) VG101 Phase I/II to Treat Vulvar and Vaginal Atrophy in Post-Menopausal Women. U.S. National Institutes of Health. | |||||
| REF 16 | ClinicalTrials.gov (NCT00722202) Study Evaluating the Safety and Pharmacokinetics (PK) of Ascending Single IV Doses of ERB-257 in Healthy Japanese Males. U.S. National Institutes of Health. | |||||
| REF 17 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2338). | |||||
| REF 18 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2823). | |||||
| REF 19 | Carcinogenicity and metabolic activation of hexestrol. Chem Biol Interact. 1985 Oct;55(1-2):157-76. | |||||
| REF 20 | Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70. | |||||
| REF 21 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800009862) | |||||
| REF 22 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800011640) | |||||
| REF 23 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021229) | |||||
| REF 24 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800015080) | |||||
| REF 25 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000792) | |||||
| REF 26 | Pharmacological characterization of a novel oestrogen antagonist, ZK 119010, in rats and mice. J Endocrinol. 1991 Sep;130(3):409-14. | |||||
| REF 27 | Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. J Med Chem. 2007 May 31;50(11):2682-92. | |||||
| REF 28 | Knockouts model the 100 best-selling drugs--will they model the next 100 Nat Rev Drug Discov. 2003 Jan;2(1):38-51. | |||||
| REF 29 | Estrogen inhibits the vascular injury response in estrogen receptor beta-deficient female mice. Proc Natl Acad Sci U S A. 1999 Dec 21;96(26):15133-6. | |||||
| REF 30 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. | |||||
| REF 31 | MF101, a selective estrogen receptor beta modulator for the treatment of menopausal hot flushes: a phase II clinical trial. Menopause. 2009 May-Jun;16(3):458-65. | |||||
| REF 32 | Company report (Axcentua) | |||||
| REF 33 | S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81(5):1072-9. | |||||
| REF 34 | Erb-041, an estrogen receptor-beta agonist, inhibits skin photocarcinogenesis in SKH-1 hairless mice by downregulating the WNT signaling pathway. Cancer Prev Res (Phila). 2014 Feb;7(2):186-98. | |||||
| REF 35 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031986) | |||||
| REF 36 | Update on alternative therapies for vulvovaginal atrophy. Patient Prefer Adherence. 2011; 5: 533-536. | |||||
| REF 37 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800030075) | |||||
| REF 38 | Subtle side-chain modifications of the hop phytoestrogen 8-prenylnaringenin result in distinct agonist/antagonist activity profiles for estrogen re... J Med Chem. 2006 Dec 14;49(25):7357-65. | |||||
| REF 39 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. | |||||
| REF 40 | Bone targeted drugs 2. synthesis of estrogens with hydroxyapatite affinity, Bioorg. Med. Chem. Lett. 6(9):1047-1050 (1996). | |||||
| REF 41 | EM-800, a novel antiestrogen, acts as a pure antagonist of the transcriptional functions of estrogen receptors alpha and beta. Endocrinology. 1998 Jan;139(1):111-8. | |||||
| REF 42 | Design, synthesis, and preclinical characterization of novel, highly selective indole estrogens. J Med Chem. 2001 May 24;44(11):1654-7. | |||||
| REF 43 | WAY-202196, a selective estrogen receptor-beta agonist, protects against death in experimental septic shock. Crit Care Med. 2006 Aug;34(8):2188-93. | |||||
| REF 44 | Androstene-3,5-dienes as ER-beta selective SERMs. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6295-8. | |||||
| REF 45 | Synthesis and biological activity of new halo-steroidal antiestrogens. J Med Chem. 1991 May;34(5):1624-30. | |||||
| REF 46 | Structure-activity relationship of antiestrogens. Phenolic analogues of 2,3-diaryl-2H-1-benzopyrans. J Med Chem. 1990 Dec;33(12):3222-9. | |||||
| REF 47 | 2-Phenylindole-linked [2-(aminoalkyl)pyridine]dichloroplatinum(II): complexes with a selective action on estrogen receptor positive mammary tumors. J Med Chem. 1991 Jul;34(7):2145-52. | |||||
| REF 48 | Differential response of estrogen receptor subtypes to 1,3-diarylindene and 2,3-diarylindene ligands. J Med Chem. 2005 Sep 22;48(19):5989-6003. | |||||
| REF 49 | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity. J Med Chem. 2005 Jun 16;48(12):3953-79. | |||||
| REF 50 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||||
| REF 51 | Estrogen receptor beta selective ligands: discovery and SAR of novel heterocyclic ligands. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5562-6. | |||||
| REF 52 | Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J Med Chem. 2004 Oct 7;47(21):5021-40. | |||||
| REF 53 | 2-Phenylspiroindenes: a novel class of selective estrogen receptor modulators (SERMs). Bioorg Med Chem Lett. 2003 Feb 10;13(3):479-83. | |||||
| REF 54 | ERbeta ligands. Part 4: Synthesis and structure-activity relationships of a series of 2-phenylquinoline derivatives. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4520-5. | |||||
| REF 55 | 7-Substituted 2-phenyl-benzofurans as ER beta selective ligands. Bioorg Med Chem Lett. 2004 Oct 4;14(19):4925-9. | |||||
| REF 56 | Phenolic metabolites of clomiphene: [(E,Z)-2-[4-(1,2-diphenyl-2-chlorovinyl)phenoxy]ethyl]diethylamine. Preparation, electrophilicity, and effects ... J Med Chem. 1989 Jan;32(1):192-7. | |||||
| REF 57 | Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones. Bioorg Med Chem Lett. 2005 Jun 15;15(12):3137-42. | |||||
| REF 58 | 6H-Benzo[c]chromen-6-one derivatives as selective ERbeta agonists. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1468-72. | |||||
| REF 59 | Structure-based virtual screening for plant-based ERbeta-selective ligands as potential preventative therapy against age-related neurodegenerative ... J Med Chem. 2005 May 19;48(10):3463-6. | |||||
| REF 60 | Monoaryl-substituted salicylaldoximes as ligands for estrogen receptor beta. J Med Chem. 2008 Mar 13;51(5):1344-51. | |||||
| REF 61 | Influence of alkyl chain ramification on estradiol receptor binding affinity and intrinsic activity of 1,2-dialkylated 1,2-bis(4- or 3-hydroxypheny... J Med Chem. 1986 Sep;29(9):1668-74. | |||||
| REF 62 | Isolation and structure elucidation of an isoflavone and a sesterterpenoic acid from Henriettella fascicularis. J Nat Prod. 2002 Dec;65(12):1749-53. | |||||
| REF 63 | Antiestrogenically active 1,1,2-tris(4-hydroxyphenyl)alkenes without basic side chain: synthesis and biological activity. J Med Chem. 2003 Apr 10;46(8):1484-91. | |||||
| REF 64 | Synthesis and characterization of 3-arylquinazolinone and 3-arylquinazolinethione derivatives as selective estrogen receptor beta modulators. J Med Chem. 2006 Apr 20;49(8):2440-55. | |||||
| REF 65 | The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3489-94. | |||||
| REF 66 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||||
| REF 67 | Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERalpha-selective antagonist. Bioorg Med Chem Lett. 2013 Jul 15;23(14):4031-6. | |||||
| REF 68 | New estrogenic compounds isolated from Broussonetia kazinoki. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3764-7. | |||||
| REF 69 | Discovery of potent, nonsteroidal, and highly selective glucocorticoid receptor antagonists. J Med Chem. 2002 Jun 6;45(12):2417-24. | |||||
| REF 70 | Estrogen receptor-beta potency-selective ligands: structure-activity relationship studies of diarylpropionitriles and their acetylene and polar analogues. J Med Chem. 2001 Nov 22;44(24):4230-51. | |||||
| REF 71 | Synthesis and biological activity of trans-2,3-dihydroraloxifene. Bioorg Med Chem Lett. 1999 Apr 19;9(8):1137-40. | |||||
| REF 72 | Design, synthesis, and biological evaluation of doxorubicin-formaldehyde conjugates targeted to breast cancer cells. J Med Chem. 2004 Feb 26;47(5):1193-206. | |||||
| REF 73 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 621). | |||||
| REF 74 | Synthesis and evaluation of geldanamycin-estradiol hybrids. Bioorg Med Chem Lett. 1999 May 3;9(9):1233-8. | |||||
| REF 75 | Signalling by CXC-chemokine receptors 1 and 2 expressed in CHO cells: a comparison of calcium mobilization, inhibition of adenylyl cyclase and stimulation of GTPgammaS binding induced by IL-8 and GROalpha. Br J Pharmacol. 1999 Feb;126(3):810-8. | |||||
| REF 76 | Discovery and preclinical pharmacology of a novel, potent, nonsteroidal estrogen receptor agonist/antagonist, CP-336156, a diaryltetrahydronaphthal... J Med Chem. 1998 Jul 30;41(16):2928-31. | |||||
| REF 77 | Structure-guided optimization of estrogen receptor binding affinity and antagonist potency of pyrazolopyrimidines with basic side chains. J Med Chem. 2007 Jan 25;50(2):399-403. | |||||
| REF 78 | Estrogen receptor subtype-selective ligands: asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl- 5,6,11, 12-tetrahydrochrysenes. J Med Chem. 1999 Jul 1;42(13):2456-68. | |||||
| REF 79 | Antagonists selective for estrogen receptor alpha. Endocrinology. 2002 Mar;143(3):941-7. | |||||
| REF 80 | Synthesis and activity of substituted 4-(indazol-3-yl)phenols as pathway-selective estrogen receptor ligands useful in the treatment of rheumatoid ... J Med Chem. 2004 Dec 16;47(26):6435-8. | |||||
| REF 81 | Synthesis and biological evaluation of stilbene-based pure estrogen antagonists. Bioorg Med Chem Lett. 2004 Sep 20;14(18):4659-63. | |||||
| REF 82 | Novel estrogen receptor ligands based on an anthranylaldoxime structure: role of the phenol-type pseudocycle in the binding process. J Med Chem. 2003 Sep 11;46(19):4032-42. | |||||
| REF 83 | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem. 2010 Nov 2;11(16):2251-4. | |||||
| REF 84 | Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist. EMBO J. 1999 Sep 1;18(17):4608-18. | |||||
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