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Target
Oxytocin receptor
Ligand
BDBM50412926
Substrate
n/a
Meas. Tech.
ChEMBL_515099 (CHEMBL1035607)
Ki
200±n/a nM
Citation
 Bellenie, BR; Barton, NP; Emmons, AJ; Heer, JP; Salvagno, C Discovery and optimization of highly ligand-efficient oxytocin receptor antagonists using structure-based drug design. Bioorg Med Chem Lett 19:990-4 (2009) [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:
BDBM50412926
Synonyms:
CHEMBL481730
Type:
Small organic molecule
Emp. Form.:
C22H23F3N2O2
Mol. Mass.:
404.4254
SMILES:
FC(F)(F)c1cccnc1-c1ccc(cc1)C(=O)N(CC1CC1)CC1CCCO1
Structure:
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