Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 1
Ligand
BDBM50342723
Substrate
n/a
Meas. Tech.
ChEMBL_744205 (CHEMBL1771962)
Ki
22±n/a nM
Citation
 Griffith, DA; Hargrove, DM; Maurer, TS; Blum, CA; De Lombaert, S; Inthavongsay, JK; Klade, LE; Mack, CM; Rose, CR; Sanders, MJ; Carpino, PA Discovery and evaluation of pyrazolo[1,5-a]pyrimidines as neuropeptide Y1 receptor antagonists. Bioorg Med Chem Lett 21:2641-5 (2011) [PubMed]  Article 
Target
Name:
Neuropeptide Y receptor type 1
Synonyms:
NPY-Y1 | NPY1-R | NPY1R | NPY1R_HUMAN | NPYR | NPYY1 | neuropeptide Y receptor Y1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44399.07
Organism:
Homo sapiens (Human)
Description:
NPY-Y1 NPY1R HUMAN::P25929
Residue:
384
Sequence:
MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
  
Inhibitor
Name:
BDBM50342723
Synonyms:
CHEMBL1771265 | N1-(3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N2-(2-fluoroethyl)ethane-1,2-diamine
Type:
Small organic molecule
Emp. Form.:
C19H22Cl2FN5O
Mol. Mass.:
426.315
SMILES:
COc1cc(Cl)c(-c2c(C)nn3c(NCCNCCF)cc(C)nc23)c(Cl)c1 |(22.02,-50.44,;23.56,-50.42,;24.32,-49.08,;23.54,-47.75,;24.29,-46.41,;23.51,-45.08,;25.83,-46.4,;26.59,-45.06,;25.68,-43.81,;24.14,-43.81,;26.59,-42.56,;28.06,-43.04,;29.39,-42.27,;29.38,-40.73,;30.72,-39.96,;32.05,-40.73,;33.38,-39.95,;34.71,-40.73,;36.05,-39.97,;36.06,-38.43,;30.72,-43.04,;30.73,-44.59,;32.06,-45.35,;29.39,-45.36,;28.06,-44.59,;26.62,-47.72,;28.16,-47.69,;25.87,-49.06,)|
Structure:
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