Target
Oxytocin receptor
Ligand
BDBM50384834
Substrate
n/a
Meas. Tech.
ChEMBL_821157 (CHEMBL2039699)
Ki
0.0794±n/a nM
Citation
 Borthwick, ADLiddle, JDavies, DEExall, AMHamlett, CHickey, DMMason, AMSmith, IENerozzi, FPeace, SPollard, DSollis, SLAllen, MJWoollard, PMPullen, MAWestfall, TDStanislaus, DJ Pyridyl-2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists: synthesis, pharmacokinetics, and in vivo potency. J Med Chem 55:783-96 (2012) [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:
BDBM50384834
Synonyms:
CHEMBL2037497
Type:
Small organic molecule
Emp. Form.:
C30H38N4O4
Mol. Mass.:
518.6471
SMILES:
Cc1ccc(cn1)[C@@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1 |r|
Structure:
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