Reaction Details  Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50307119
Substrate
n/a
Meas. Tech.
ChEMBL_609611 (CHEMBL1065226)
Ki
27.8±n/a nM
Citation
 Frantz, MC; Rodrigo, J; Boudier, L; Durroux, T; Mouillac, B; Hibert, M Subtlety of the structure-affinity and structure-efficacy relationships around a nonpeptide oxytocin receptor agonist. J Med Chem 53:1546-62 (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:
BDBM50307119
Synonyms:
1-Methyl-5-[3-methyl-4-(3-methyl-1H-pyrazol-1-yl)benzoyl]-1,4,5,10-tetrahydropyrazolo[3,4-b][1,5]benzodiazepine | CHEMBL605373
Type:
Small organic molecule
Emp. Form.:
C23H22N6O
Mol. Mass.:
398.4604
SMILES:
Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: