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Target
Oxytocin receptor
Ligand
BDBM50412934
Substrate
n/a
Meas. Tech.
ChEMBL_515099 (CHEMBL1035607)
Ki
79.43±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:
BDBM50412934
Synonyms:
CHEMBL480546
Type:
Small organic molecule
Emp. Form.:
C25H23F3N2O2
Mol. Mass.:
440.4575
SMILES:
FC(F)(F)c1ccccc1-c1ccc(cn1)C(=O)N(CC1CCCO1)Cc1ccccc1
Structure:
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