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Target
Oxytocin receptor
Ligand
BDBM50081738
Substrate
n/a
Meas. Tech.
ChEBML_149051
Ki
26±n/a nM
Citation
 Wisniewski, K; Trojnar, J; Riviere, P; Haigh, R; Yea, C; Ashworth, D; Melin, P; Nilsson, A The synthesis of a new class of oxytocin antagonists. Bioorg Med Chem Lett 9:2801-4 (1999) [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:
BDBM50081738
Synonyms:
2-[(3S,6S,9S,12S,15R)-3-(3-Amino-propyl)-9-((R)-sec-butyl)-12-((S)-sec-butyl)-15-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cycloicos-6-yl]-acetamide | CHEMBL328348
Type:
Small organic molecule
Emp. Form.:
C36H56N8O6S
Mol. Mass.:
728.945
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCCSC[C@H](CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@H](C)CC
Structure:
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