Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50219782
Substrate
n/a
Meas. Tech.
ChEMBL_149054 (CHEMBL761408)
Ki
10±n/a nM
Citation
 Wyatt, PG; Allen, MJ; Chilcott, J; Gardner, CJ; Livermore, DG; Mordaunt, JE; Nerozzi, F; Patel, M; Perren, MJ; Weingarten, GG; Shabbir, S; Woollard, PM; Zhou, P Identification of potent and selective oxytocin antagonists. Part 2: further investigation of benzofuran derivatives. Bioorg Med Chem Lett 12:1405-11 (2002) [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:
BDBM50219782
Synonyms:
CHEMBL281081
Type:
Small organic molecule
Emp. Form.:
C30H26F3N5O5S
Mol. Mass.:
625.618
SMILES:
FC(F)(F)c1ccc(=O)n(CC(=O)NCc2nc3ccc(cc3s2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Structure:
Search PDB for entries with ligand similarity: