Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50500651
Substrate
n/a
Meas. Tech.
ChEMBL_1549325 (CHEMBL3755031)
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
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:
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: