Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM20628
Substrate
n/a
Meas. Tech.
ChEMBL_1549325 (CHEMBL3755031)
Ki
4.1±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
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM20628
Synonyms:
2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL431698 | benzthiophene compound, 3
Type:
Small organic molecule
Emp. Form.:
C14H10O2S
Mol. Mass.:
242.293
SMILES:
Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Structure:
Search PDB for entries with ligand similarity: