Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 1
Ligand
BDBM50296874
Substrate
n/a
Meas. Tech.
ChEMBL_580514 (CHEMBL1053228)
Ki
49±n/a nM
Citation
 Cho, K; Ando, M; Kobayashi, K; Miyazoe, H; Tsujino, T; Ito, S; Suzuki, T; Tanaka, T; Tokita, S; Sato, N Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists. Bioorg Med Chem Lett 19:4781-5 (2009) [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:
Human
Description:
NPY-Y1 NPY1R HUMAN::P25929
Residue:
384
Sequence:
MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
  
Inhibitor
Name:
BDBM50296874
Synonyms:
CHEMBL561193 | N-(4-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-1-phenylcyclohexyl)-N-methylacetamide
Type:
Small organic molecule
Emp. Form.:
C33H46N2O3
Mol. Mass.:
518.7299
SMILES:
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
Structure:
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