Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50416840
Substrate
n/a
Meas. Tech.
ChEMBL_661588 (CHEMBL1251522)
Ki
3.16±n/a nM
Citation
 Borthwick, AD Oral oxytocin antagonists. J Med Chem 53:6525-38 (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:
BDBM50416840
Synonyms:
CHEMBL196603
Type:
Small organic molecule
Emp. Form.:
C30H40N4O3
Mol. Mass.:
504.6636
SMILES:
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: