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Target
Oxytocin receptor
Ligand
BDBM50516424
Substrate
n/a
Meas. Tech.
ChEMBL_1865144 (CHEMBL4366119)
IC50
235±n/a nM
Citation
 Li, X; Zhang, Z; Chen, Y; Wan, H; Sun, J; Wang, B; Feng, B; Hu, B; Shi, X; Feng, J; Zhang, L; He, F; Bai, C; Zhang, L; Tao, W Discovery of SHR1653, a Highly Potent and Selective OTR Antagonist with Improved Blood-Brain Barrier Penetration. ACS Med Chem Lett 10:996-1001 (2019) [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:
BDBM50516424
Synonyms:
CHEMBL4575160
Type:
Small organic molecule
Emp. Form.:
C21H18ClFN6O
Mol. Mass.:
424.859
SMILES:
[H][C@@]12C[C@@]1(CN(C2)c1nnc(CC#N)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
Structure:
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