Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 1
Ligand
BDBM50342724
Substrate
n/a
Meas. Tech.
ChEMBL_744205 (CHEMBL1771962)
Ki
5±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:
BDBM50342724
Synonyms:
CHEMBL1771264 | N1-(3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N2-(2-fluorocyclohexyl)ethane-1,2-diamine
Type:
Small organic molecule
Emp. Form.:
C23H28Cl2FN5O
Mol. Mass.:
480.406
SMILES:
COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1 |(6.22,-49.39,;7.76,-49.38,;8.52,-48.03,;7.73,-46.71,;8.49,-45.37,;7.71,-44.04,;10.02,-45.36,;10.78,-44.02,;9.87,-42.77,;8.33,-42.76,;10.78,-41.52,;12.26,-42,;13.58,-41.23,;13.58,-39.69,;14.91,-38.92,;16.25,-39.68,;17.58,-38.91,;18.91,-39.69,;18.89,-41.23,;20.21,-42.01,;21.55,-41.25,;21.57,-39.71,;20.24,-38.93,;20.25,-37.39,;14.92,-41.99,;14.92,-43.54,;16.26,-44.31,;13.59,-44.32,;12.25,-43.54,;10.81,-46.67,;12.35,-46.65,;10.06,-48.01,)|
Structure:
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