Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50500651
Substrate
n/a
Meas. Tech.
ChEMBL_1549326 (CHEMBL3755032)
Ki
>10000±n/a nM
Citation
 Bivi, N; Hu, H; Chavali, B; Chalmers, MJ; Reutter, CT; Durst, GL; Riley, A; Sato, M; Allen, MR; Burr, DB; Dodge, JA Structural features underlying raloxifene's biophysical interaction with bone matrix. Bioorg Med Chem 24:759-67 (2016) [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:
Human
Description:
Q92731
Residue:
530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLHCAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
  
Inhibitor
Name:
BDBM50500651
Synonyms:
CHEMBL1189544
Type:
Small organic molecule
Emp. Form.:
C28H27NO2S
Mol. Mass.:
441.584
SMILES:
O=C(c1c(sc2ccccc12)-c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: