Reaction Details  Report a problem with these data
Target
Neuropeptide Y receptor type 4
Ligand
BDBM50354076
Substrate
n/a
Meas. Tech.
ChEMBL_770875 (CHEMBL1837823)
IC50
>1000±n/a nM
Citation
 Packiarajan, M; Marzabadi, MR; Desai, M; Lu, Y; Noble, SA; Wong, WC; Jubian, V; Chandrasena, G; Wolinsky, TD; Zhong, H; Walker, MW; Wiborg, O; Andersen, K Discovery of Lu AA33810: a highly selective and potent NPY5 antagonist with in vivo efficacy in a model of mood disorder. Bioorg Med Chem Lett 21:5436-41 (2011) [PubMed]  Article
Target
Name:
Neuropeptide Y receptor type 4
Synonyms:
NPY-Y4 | NPY4-R | NPY4R | NPY4R_HUMAN | PP1 | PPYR1 | Pancreatic polypeptide receptor 1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42207.58
Organism:
Homo sapiens (Human)
Description:
NPY-Y4 PPYR1 HUMAN::P50391
Residue:
375
Sequence:
MNTSHLLALLLPKSPQGENRSKPLGTPYNFSEHCQDSVDVMVFIVTSYSIETVVGVLGNLCLMCVTVRQKEKANVTNLLIANLAFSDFLMCLLCQPLTAVYTIMDYWIFGETLCKMSAFIQCMSVTVSILSLVLVALERHQLIINPTGWKPSISQAYLGIVLIWVIACVLSLPFLANSILENVFHKNHSKALEFLADKVVCTESWPLAHHRTIYTTFLLLFQYCLPLGFILVCYARIYRRLQRQGRVFHKGTYSLRAGHMKQVNVVLVVMVVAFAVLWLPLHVFNSLEDWHHEAIPICHGNLIFLVCHLLAMASTCVNPFIYGFLNTNFKKEIKALVLTCQQSAPLEESEHLPLSTVHTEVSKGSLRLSGRSNPI
  
Inhibitor
Name:
BDBM50354076
Synonyms:
CHEMBL1836103
Type:
Small organic molecule
Emp. Form.:
C26H31N3O3S3
Mol. Mass.:
529.738
SMILES:
COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:14.14,wD:17.21,(38.95,-3.6,;37.61,-2.84,;36.28,-3.62,;36.3,-5.16,;34.96,-5.95,;33.62,-5.18,;32.29,-5.96,;33.61,-3.64,;34.95,-2.87,;34.94,-1.33,;36.48,-1.32,;35.7,.01,;33.6,-.57,;33.59,.98,;32.25,1.74,;30.92,.96,;29.58,1.72,;29.58,3.26,;30.9,4.05,;32.24,3.28,;28.23,4.02,;26.91,3.24,;25.54,3.83,;24.55,2.71,;25.3,1.43,;24.71,-.06,;23.22,-.47,;21.99,.44,;21.93,2.03,;20.53,2.52,;20.26,3.98,;21.39,4.95,;22.79,4.45,;23.06,3,;26.76,1.75,)|
Structure:
Search PDB for entries with ligand similarity: