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Target
Oxytocin receptor
Ligand
BDBM50314512
Substrate
n/a
Meas. Tech.
ChEMBL_624611 (CHEMBL1111571)
Ki
25±n/a nM
Citation
 Brown, A; Ellis, D; Wallace, O; Ralph, M Identification of amide bioisosteres of triazole oxytocin antagonists. Bioorg Med Chem Lett 20:2224-8 (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:
BDBM50314512
Synonyms:
5-(2,3-dimethylphenyl)-N-ethyl-N-(6-methoxypyridin-3-yl)pyrazine-2-carboxamide | CHEMBL1090654
Type:
Small organic molecule
Emp. Form.:
C21H22N4O2
Mol. Mass.:
362.425
SMILES:
CCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
Structure:
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