Reaction Details | |||
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Target | Estrogen receptor beta | ||
Ligand | BDBM50474727 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_66867 (CHEMBL675206) | ||
Kd | 490±n/a nM | ||
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 | ||
More Info.: | Get all data from this article, Assay Method | ||
Estrogen receptor beta | |||
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: |
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BDBM50474727 | |||
n/a | |||
Name | BDBM50474727 | ||
Synonyms: | CHEBI:16548 | Kepone | ||
Type | Small organic molecule | ||
Emp. Form. | C10Cl10O | ||
Mol. Mass. | 490.636 | ||
SMILES | ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl |TLB:13:12:2:8.6,15:14:2:8.6,9:8:2:12.14,THB:10:12:2:8.6,10:8:2:12.14,16:14:2:8.6,16:6:2:12.14,(19.53,-28.13,;18.77,-26.81,;17.43,-27.58,;16.67,-28.91,;17.89,-25.92,;16.54,-26.67,;19.43,-25.92,;21.65,-25.93,;20.32,-26.82,;21.41,-27.9,;20.31,-25.27,;21.64,-24.49,;18.78,-25.28,;16.68,-24.65,;17.89,-24.38,;16.8,-23.28,;19.43,-24.38,;18.65,-23.03,;21.09,-23.92,;20.3,-22.58,;22.4,-23.14,)| | ||
Structure |