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Target
Estrogen receptor beta
Ligand
BDBM50318636
Substrate
n/a
Meas. Tech.
ChEMBL_633231 (CHEMBL1119438)
EC50
753±n/a nM
Citation
 Shen, J; Tan, C; Zhang, Y; Li, X; Li, W; Huang, J; Shen, X; Tang, Y Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening. J Med Chem 53:5361-5 (2010) [PubMed]  Article 
Target
Name:
Estrogen receptor beta
Synonyms:
ER-beta | ESR2 | ESR2_HUMAN | ESTRB | Estradiol receptor beta (ERβ) | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | NR3A2 | Nuclear receptor subfamily 3 group A member 2 | estrogen beta
Type:
Protein
Mol. Mass.:
59238.43
Organism:
Homo sapiens (Human)
Description:
Q92731
Residue:
530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLHCAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
  
Inhibitor
Name:
BDBM50318636
Synonyms:
3-(2-chlorophenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one | CHEMBL1082420
Type:
Small organic molecule
Emp. Form.:
C16H8ClF3O3
Mol. Mass.:
340.681
SMILES:
Oc1ccc2c(c1)oc(c(-c1ccccc1Cl)c2=O)C(F)(F)F |(-9.43,-6.02,;-8.09,-6.79,;-8.09,-8.33,;-6.76,-9.11,;-5.42,-8.33,;-5.43,-6.78,;-6.76,-6.02,;-4.1,-6.01,;-2.76,-6.77,;-2.75,-8.32,;-1.41,-9.08,;-.09,-8.3,;1.24,-9.06,;1.25,-10.61,;-.08,-11.38,;-1.41,-10.62,;-2.75,-11.39,;-4.09,-9.09,;-4.08,-10.63,;-1.43,-5.99,;-.09,-6.76,;-1.44,-4.45,;-.1,-5.21,)|
Structure:
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