Reaction Details |
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Target | Estrogen receptor beta |
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Ligand | BDBM7458 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_66867 (CHEMBL675206) |
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Kd | 660±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 |
Synonyms: | ER-beta | ESR2 | ESR2_SHEEP | Estrogen receptor beta | NR3A2 | Nuclear receptor subfamily 3 group A member 2 |
Type: | PROTEIN |
Mol. Mass.: | 59140.21 |
Organism: | Ovis aries |
Description: | ChEMBL_105572 |
Residue: | 527 |
Sequence: | MDVKNSPSSLNSPVSYNCGQSILPLEPGPIYLPSSYVESRHEYSAVTFYSPAVMNYSIPN
NSEDGPGRQTTSPNVLWPTPGHLSPLAIHCQSSLLYAEPQKSPWCETRSLEHTFPVNRET
LKRKASGSSCASPVSSPSSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDY
ICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRNSDEQLHCLS
KTKRNGAPMTRVKELLLSALSPEQLVLTLLEAEPPHVLMSRPSAPFTEASMMMSLTKLAD
KELVHMISWAKKIPGFVELSLYDQVRLLESCWLEVLMVGLMWRSIDHPGKLIFAPDLVLD
RDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPSATASQEADSG
RKLTHLLNAVTDALVWVIAKSGMSSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKN
VVPVYDLLLEMLNAHTLRSNKPLVTRSERNLAEDSESKEGSQKPQAQ
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BDBM7458 |
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n/a |
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Name | BDBM7458 |
Synonyms: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | 5,7-dihydroxy-2-(4-hydroxyphenyl)-chromen-4-one | Apigenin | Apigenin (2) | Apigenin (3) | Apigenin (7) | Apigenin, 13 | CHEMBL28 | Naringenin, 18 | US10278929, Apigenin | US11337935, Compound Apigenin | acs.jmedchem.1c00409_ST.789 | cid_5280443 | jm5b01461, Compound 90 |
Type | Small organic molecule |
Emp. Form. | C15H10O5 |
Mol. Mass. | 270.2369 |
SMILES | Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 |
Structure |
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