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Target
Oxytocin receptor
Ligand
BDBM50307112
Substrate
n/a
Meas. Tech.
ChEMBL_609611 (CHEMBL1065226)
Ki
844±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:
BDBM50307112
Synonyms:
(2S)-N-[2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-ylcarbonyl)benzyl]-2-[(4-methyl-1,4-diazepan-1-yl)carbonothioyl]-pyrrolidine-1-carboxamide | CHEMBL602671
Type:
Small organic molecule
Emp. Form.:
C30H40N6O2S
Mol. Mass.:
548.743
SMILES:
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCNc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: