Target
Oxytocin receptor
Ligand
BDBM50384804
Substrate
n/a
Meas. Tech.
ChEMBL_821157 (CHEMBL2039699)
Ki
0.501±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:
BDBM50384804
Synonyms:
CHEMBL2037500
Type:
Small organic molecule
Emp. Form.:
C29H36N4O4
Mol. Mass.:
504.6205
SMILES:
CC[C@@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r|
Structure:
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