Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 1
Ligand
BDBM50380922
Substrate
n/a
Meas. Tech.
ChEMBL_813979 (CHEMBL2020491)
Ki
>10000±n/a nM
Citation
 Fichtner, M; Lee, E; Tomlinson, E; Scott, D; Cornelius, P; Patterson, TA; Carpino, PA Discovery and evaluation of spirocyclic derivatives as antagonists of the neuropeptide Y5 receptor. Bioorg Med Chem Lett 22:2738-43 (2012) [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:
BDBM50380922
Synonyms:
CHEMBL2016739
Type:
Small organic molecule
Emp. Form.:
C24H23N5O3
Mol. Mass.:
429.4711
SMILES:
CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
Structure:
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