Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50072367
Substrate
n/a
Meas. Tech.
ChEBML_149050
Ki
5.4±n/a nM
Citation
 Kuo, MS; Bock, MG; Freidinger, RM; Guidotti, MT; Lis, EV; Pawluczyk, JM; Perlow, DS; Pettibone, DJ; Quigley, AG; Reiss, DR; Williams, PD; Woyden, CJ Nonpeptide oxytocin antagonists: potent, orally bioavailable analogs of L-371,257 containing a 1-R-(pyridyl)ethyl ether terminus. Bioorg Med Chem Lett 8:3081-6 (1999) [PubMed]  Article 
Target
Name:
Oxytocin receptor
Synonyms:
OT-R | OXTR | OXYR_HUMAN | Oxytocin
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42793.26
Organism:
Human
Description:
Oxytocin OXTR HEK293::B2R9L7
Residue:
389
Sequence:
MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
  
Inhibitor
Name:
BDBM50072367
Synonyms:
1-{1-[2-Methoxy-4-(1-pyridin-3-yl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one | CHEMBL105406
Type:
Small organic molecule
Emp. Form.:
C28H29N3O5
Mol. Mass.:
487.547
SMILES:
COc1cc(OC(C)c2cccnc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
Structure:
Search PDB for entries with ligand similarity: