Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50384828
Substrate
n/a
Meas. Tech.
ChEMBL_821172 (CHEMBL2039714)
Ki
31.62±n/a nM
Citation
 Borthwick, AD; Liddle, J; Davies, DE; Exall, AM; Hamlett, C; Hickey, DM; Mason, AM; Smith, IE; Nerozzi, F; Peace, S; Pollard, D; Sollis, SL; Allen, MJ; Woollard, PM; Pullen, MA; Westfall, TD; Stanislaus, 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:
BDBM50384828
Synonyms:
CHEMBL2035013
Type:
Small organic molecule
Emp. Form.:
C29H37N3O4
Mol. Mass.:
491.6218
SMILES:
COc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C |r|
Structure:
Search PDB for entries with ligand similarity: