| Reaction Details |
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 | Report a problem with these data |
| Target | Estrogen receptor beta |
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| Ligand | BDBM50139862 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_66867 (CHEMBL675206) |
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| Kd | 11000±n/a nM |
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| Citation |  van Lipzig, MM; ter Laak, AM; Jongejan, A; Vermeulen, NP; Wamelink, M; Geerke, D; Meerman, JH Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method. J Med Chem47:1018-30 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Estrogen receptor beta |
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| Name: | Estrogen receptor beta |
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| Synonyms: | ER-beta | ESR2 | ESR2_SHEEP | Estrogen receptor beta | NR3A2 | Nuclear receptor subfamily 3 group A member 2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59140.21 |
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| Organism: | Ovis aries |
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| Description: | ChEMBL_105572 |
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| Residue: | 527 |
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| Sequence: | MDVKNSPSSLNSPVSYNCGQSILPLEPGPIYLPSSYVESRHEYSAVTFYSPAVMNYSIPN
NSEDGPGRQTTSPNVLWPTPGHLSPLAIHCQSSLLYAEPQKSPWCETRSLEHTFPVNRET
LKRKASGSSCASPVSSPSSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDY
ICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRNSDEQLHCLS
KTKRNGAPMTRVKELLLSALSPEQLVLTLLEAEPPHVLMSRPSAPFTEASMMMSLTKLAD
KELVHMISWAKKIPGFVELSLYDQVRLLESCWLEVLMVGLMWRSIDHPGKLIFAPDLVLD
RDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPSATASQEADSG
RKLTHLLNAVTDALVWVIAKSGMSSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKN
VVPVYDLLLEMLNAHTLRSNKPLVTRSERNLAEDSESKEGSQKPQAQ
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| BDBM50139862 |
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| n/a |
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| Name | BDBM50139862 |
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| Synonyms: | 3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-trihydroxyisoflavan | CHEMBL8328 | HIR-1 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H14O4 |
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| Mol. Mass. | 258.2693 |
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| SMILES | Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1 |
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| Structure | 
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