Reaction Details Report a problem with these data
Target
Oxytocin receptor
Ligand
BDBM50372608
Substrate
n/a
Meas. Tech.
ChEMBL_465438 (CHEMBL946022)
Ki
4.1±n/a nM
Citation
 Liddle, J; Allen, MJ; Borthwick, AD; Brooks, DP; Davies, DE; Edwards, RM; Exall, AM; Hamlett, C; Irving, WR; Mason, AM; McCafferty, GP; Nerozzi, F; Peace, S; Philp, J; Pollard, D; Pullen, MA; Shabbir, SS; Sollis, SL; Westfall, TD; Woollard, PM; Wu, C; Hickey, DM The discovery of GSK221149A: a potent and selective oxytocin antagonist. Bioorg Med Chem Lett 18:90-4 (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:
BDBM50372608
Synonyms:
CHEMBL429736 | GSK-221149A
Type:
Small organic molecule
Emp. Form.:
C27H34N4O5
Mol. Mass.:
494.5827
SMILES:
CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Structure:
Search PDB for entries with ligand similarity: