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Target
Estrogen receptor beta
Ligand
BDBM7458
Substrate
n/a
Meas. Tech.
ChEMBL_66867 (CHEMBL675206)
Kd
660±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 Chem 47:1018-30 (2004) [PubMed]  Article 
Target
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:
MDVKNSPSSLNSPVSYNCGQSILPLEPGPIYLPSSYVESRHEYSAVTFYSPAVMNYSIPNNSEDGPGRQTTSPNVLWPTPGHLSPLAIHCQSSLLYAEPQKSPWCETRSLEHTFPVNRETLKRKASGSSCASPVSSPSSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRNSDEQLHCLSKTKRNGAPMTRVKELLLSALSPEQLVLTLLEAEPPHVLMSRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLYDQVRLLESCWLEVLMVGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPSATASQEADSGRKLTHLLNAVTDALVWVIAKSGMSSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHTLRSNKPLVTRSERNLAEDSESKEGSQKPQAQ
  
Inhibitor
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:
Search PDB for entries with ligand similarity: