Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50313810
Substrate
n/a
Meas. Tech.
ChEMBL_615224 (CHEMBL1115874)
Ki
112±n/a nM
Citation
 Brown, A; Ellis, D; Wallace, O; Ralph, M Identification of a urea bioisostere of a triazole oxytocin antagonist. Bioorg Med Chem Lett 20:1851-3 (2010) [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:
BDBM50313810
Synonyms:
3-(4-fluoro-2-methylphenoxy)-N-(6-methoxypyridin-3-yl)-N-methylazetidine-1-carboxamide | CHEMBL1092499
Type:
Small organic molecule
Emp. Form.:
C18H20FN3O3
Mol. Mass.:
345.3681
SMILES:
COc1ccc(cn1)N(C)C(=O)N1CC(C1)Oc1ccc(F)cc1C
Structure:
Search PDB for entries with ligand similarity: