Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 4
Ligand
BDBM50441967
Substrate
n/a
Meas. Tech.
ChEMBL_992058 (CHEMBL2447701)
EC50
48±n/a nM
Citation
 Berlicki, L; Kaske, M; Gutièrrez-Abad, R; Bernhardt, G; Illa, O; Ortuno, RM; Cabrele, C; Buschauer, A; Reiser, O Replacement of Thr32 and Gln34 in the C-terminal neuropeptide Y fragment 25-36 by cis-cyclobutane and cis-cyclopentane β-amino acids shifts selectivity toward the Y(4) receptor. J Med Chem 56:8422-31 (2013) [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:
BDBM50441967
Synonyms:
CHEMBL2440190
Type:
Small organic molecule
Emp. Form.:
C78H123N25O16
Mol. Mass.:
1666.9691
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:96.99,88.90,92.96,69.70,73.76,30.39,8.17,2.2,45.46,62.64,wD:107.110,77.79,20.28,4.4,53.54,61.62,(15.59,-37.55,;15.59,-36.01,;16.93,-35.24,;18.27,-36.01,;16.93,-33.7,;15.59,-32.93,;14.27,-33.7,;14.27,-35.23,;12.93,-32.93,;12.93,-31.38,;14.27,-30.61,;15.59,-31.38,;16.94,-30.61,;16.93,-29.06,;18.26,-28.29,;15.58,-28.3,;14.27,-29.08,;11.6,-33.69,;10.26,-32.92,;10.26,-31.38,;8.93,-33.69,;8.93,-35.23,;10.26,-36,;11.67,-35.38,;12.7,-36.52,;11.93,-37.86,;10.42,-37.53,;7.59,-32.92,;6.26,-33.69,;6.26,-35.22,;4.93,-32.92,;4.93,-31.37,;6.26,-30.6,;6.26,-29.06,;7.6,-28.29,;7.6,-26.75,;6.26,-25.99,;8.93,-25.98,;3.59,-33.68,;2.25,-32.91,;.93,-33.68,;2.25,-31.37,;18.27,-32.93,;18.27,-31.39,;19.6,-33.7,;20.94,-32.93,;20.94,-31.39,;22.27,-30.62,;23.61,-31.39,;22.27,-29.08,;22.27,-33.71,;22.27,-35.24,;23.6,-32.94,;24.93,-33.71,;24.93,-35.25,;26.27,-36.02,;26.27,-37.56,;27.6,-35.25,;26.27,-32.94,;26.27,-31.4,;27.61,-33.71,;28.94,-32.94,;30.28,-33.71,;31.6,-32.94,;30.28,-35.25,;28.94,-36.02,;28.94,-31.4,;27.61,-30.63,;30.28,-30.63,;30.28,-29.09,;29.03,-28.19,;29.51,-26.72,;31.05,-26.72,;31.52,-28.19,;32.99,-28.66,;33.31,-30.17,;34.13,-27.63,;35.6,-28.12,;35.92,-29.62,;34.77,-30.65,;35.09,-32.16,;33.95,-33.19,;34.26,-34.7,;35.73,-35.17,;33.12,-35.73,;36.74,-27.09,;38.21,-27.56,;36.43,-25.58,;34.96,-25.1,;33.71,-26,;32.46,-25.1,;32.94,-23.63,;34.49,-23.63,;35.4,-22.39,;36.91,-22.63,;34.84,-20.95,;33.32,-20.71,;32.35,-21.9,;30.83,-21.66,;29.86,-22.86,;28.34,-22.63,;27.37,-23.82,;27.92,-25.25,;25.85,-23.58,;32.77,-19.27,;33.73,-18.07,;31.24,-19.03,;30.7,-17.59,;31.66,-16.4,;31.11,-14.96,;29.59,-14.71,;29.03,-13.28,;30.01,-12.08,;29.45,-10.65,;31.52,-12.32,;32.08,-13.76,;29.17,-17.35,;28.62,-15.91,;28.2,-18.55,)|
Structure:
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