Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50459398
Substrate
n/a
Meas. Tech.
ChEMBL_1766405 (CHEMBL4201652)
EC50
18±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 | OXYR_MOUSE | Oxtr | Oxytocin receptor
Type:
PROTEIN
Mol. Mass.:
42826.38
Organism:
Mus musculus
Description:
ChEMBL_108294
Residue:
388
Sequence:
MEGTPAANWSIELDLGSGVPPGAEGNLTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASVPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGSDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSARYLKGSRPGETSISKKSNSSTFVLSRRSSSQRSCSQPSSA
  
Inhibitor
Name:
BDBM50459398
Synonyms:
CHEMBL4204210
Type:
Small organic molecule
Emp. Form.:
C28H33N7O2S
Mol. Mass.:
531.672
SMILES:
CN(C)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: