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Target
Oxytocin receptor
Ligand
BDBM50345141
Substrate
n/a
Meas. Tech.
ChEMBL_748741 (CHEMBL1780594)
Ki
135±n/a nM
Citation
 Oost, T; Backfisch, G; Bhowmik, S; van Gaalen, MM; Geneste, H; Hornberger, W; Lubisch, W; Netz, A; Unger, L; Wernet, W Potent and selective oxindole-based vasopressin 1b receptor antagonists with improved pharmacokinetic properties. Bioorg Med Chem Lett 21:3828-31 (2011) [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:
BDBM50345141
Synonyms:
(R)-5-chloro-3-(2-methoxy-5-((methylamino)methyl)phenyl)-1-(4-methoxyphenylsulfonyl)-3-((S)-2-(oxazol-2-yl)pyrrolidin-1-yl)indolin-2-one | CHEMBL1779419
Type:
Small organic molecule
Emp. Form.:
C31H31ClN4O6S
Mol. Mass.:
623.119
SMILES:
CNCc1ccc(OC)c(c1)[C@@]1(N2CCC[C@H]2c2ncco2)C(=O)N(c2ccc(Cl)cc12)S(=O)(=O)c1ccc(OC)cc1 |r|
Structure:
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