Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50413720
Substrate
n/a
Meas. Tech.
ChEMBL_540346 (CHEMBL1025689)
Ki
12.59±n/a nM
Citation
 Barton, NP; Bellenie, BR; Doran, AT; Emmons, AJ; Heer, JP; Salvagno, CM Discovery and optimisation of a potent and selective tertiary sulfonamide oxytocin antagonist. Bioorg Med Chem Lett 19:528-32 (2008) [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:
BDBM50413720
Synonyms:
CHEMBL515975
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3S
Mol. Mass.:
449.525
SMILES:
COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)cn1
Structure:
Search PDB for entries with ligand similarity: