Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50219764
Substrate
n/a
Meas. Tech.
ChEMBL_149054 (CHEMBL761408)
Ki
6.3±n/a nM
Citation
 Wyatt, PG; Allen, MJ; Chilcott, J; Gardner, CJ; Livermore, DG; Mordaunt, JE; Nerozzi, F; Patel, M; Perren, MJ; Weingarten, GG; Shabbir, S; Woollard, PM; Zhou, P Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives. Bioorg Med Chem Lett 12:1405-11 (2002) [PubMed]  Article 
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXTR | OXYR_HUMAN | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42793.26
Organism:
Homo sapiens (Human)
Description:
Oxytocin OXTR HEK293::B2R9L7
Residue:
389
Sequence:
MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
  
Inhibitor
Name:
BDBM50219764
Synonyms:
CHEMBL281044
Type:
Small organic molecule
Emp. Form.:
C34H30N4O6
Mol. Mass.:
590.6252
SMILES:
O=C(Cn1ccc2ccccc2c1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Structure:
Search PDB for entries with ligand similarity: