Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50326724
Substrate
n/a
Meas. Tech.
ChEMBL_661577 (CHEMBL1253141)
Ki
56±n/a nM
Citation
 Borthwick, AD Oral oxytocin antagonists. J Med Chem 53:6525-38 (2010) [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:
BDBM50326724
Synonyms:
2-methoxy-5-(3-(2'-methoxybiphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)pyridine | CHEMBL1254297
Type:
Small organic molecule
Emp. Form.:
C22H20N4O2
Mol. Mass.:
372.4198
SMILES:
COc1ccc(cn1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
Structure:
Search PDB for entries with ligand similarity: