Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50077032
Substrate
n/a
Meas. Tech.
ChEBML_149046
Ki
1.4±n/a nM
Citation
 Williams, PD; Bock, MG; Evans, BE; Freidinger, RM; Gallicchio, SN; Guidotti, MT; Jacobson, MA; Kuo, MS; Levy, MR; Lis, EV; Michelson, SR; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Salvatore, C; Stauffer, KJ; Woyden, CJ Nonpeptide oxytocin antagonists: analogs of L-371,257 with improved potency. Bioorg Med Chem Lett 9:1311-6 (1999) [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:
BDBM50077032
Synonyms:
1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one | CHEMBL24526
Type:
Small organic molecule
Emp. Form.:
C30H34F3N3O6
Mol. Mass.:
589.6027
SMILES:
CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity: