Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50318646
Substrate
n/a
Meas. Tech.
ChEMBL_633227 (CHEMBL1119434)
EC50
18700±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
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:
BDBM50318646
Synonyms:
2-[1-(4-Hydroxy-phenyl)-meth-(E)-ylidene]-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[b]thiophen-3-one | CHEMBL1084534
Type:
Small organic molecule
Emp. Form.:
C15H10O4S
Mol. Mass.:
286.303
SMILES:
Oc1ccc(\C=C2/C(=O)c3ccccc3S2(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: