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Target
Oxytocin receptor
Ligand
BDBM50305506
Substrate
n/a
Meas. Tech.
ChEMBL_1766415 (CHEMBL4201662)
IC50
600±n/a nM
Citation
 Frantz, MC; Pellissier, LP; Pflimlin, E; Loison, S; Gandía, J; Marsol, C; Durroux, T; Mouillac, B; Becker, JAJ; Le Merrer, J; Valencia, C; Villa, P; Bonnet, D; Hibert, M LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism. J Med Chem 61:8670-8692 (2018) [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:
BDBM50305506
Synonyms:
5-(3-(3-(2-chloro-4-fluorophenoxy)azetidin-1-yl)-5-(methoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine | CHEMBL594828
Type:
Small organic molecule
Emp. Form.:
C19H19ClFN5O3
Mol. Mass.:
419.837
SMILES:
COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
Structure:
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