Reaction Details  Report a problem with these data
Target
Neuropeptide Y receptor type 2
Ligand
BDBM50459999
Substrate
n/a
Meas. Tech.
ChEMBL_1768173 (CHEMBL4220285)
IC50
4.5±n/a nM
Citation
 Niida, A; Kanematsu-Yamaki, Y; Asakawa, T; Ishimura, Y; Fujita, H; Matsumiya, K; Nishizawa, N; Adachi, Y; Mochida, T; Tsuchimori, K; Yoneyama-Hirozane, M; Sakamoto, J; Hirabayashi, H; Fukui, H; Takekawa, S; Asami, T Antiobesity and emetic effects of a short-length peptide YY analog and its PEGylated and alkylated derivatives. Bioorg Med Chem 26:566-572 (2018) [PubMed]  Article
Target
Name:
Neuropeptide Y receptor type 2
Synonyms:
NPY-Y2 | NPY-Y2 receptor | NPY2-R | NPY2R | NPY2R_HUMAN | Neuropeptide Y receptor type 2 | Y2 receptor | neuropeptide Y receptor Y2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42734.65
Organism:
Homo sapiens (Human)
Description:
NPY-Y2 NPY2R HUMAN::P49146
Residue:
381
Sequence:
MGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
  
Inhibitor
Name:
BDBM50459999
Synonyms:
CHEMBL4225031
Type:
Small organic molecule
Emp. Form.:
C132H227N33O33
Mol. Mass.:
2804.4161
SMILES:
C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCNC(=O)C1CCNCC1)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H](CO)NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)CC1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r,wU:13.13,156.161,176.181,85.89,79.82,44.45,122.126,115.118,66.69,wD:30.31,3.157,1.1,167.172,187.192,77.79,55.57,119.122,(36.79,-44.6,;38.33,-44.43,;39.24,-45.68,;38.95,-43.02,;38.03,-41.78,;36.5,-41.95,;35.88,-43.36,;35.59,-40.71,;34.36,-41.64,;34.17,-40.11,;36.21,-39.3,;35.3,-38.06,;33.76,-38.23,;35.91,-36.65,;37.44,-36.48,;38.06,-35.07,;39.59,-34.9,;40.21,-33.49,;41.74,-33.32,;42.35,-31.91,;41.44,-30.67,;43.88,-31.74,;44.79,-32.98,;46.31,-32.81,;46.94,-31.41,;46.03,-30.16,;44.49,-30.33,;35,-35.41,;33.47,-35.58,;32.85,-36.99,;32.56,-34.34,;31.02,-34.51,;30.41,-35.92,;28.88,-36.09,;31.32,-37.16,;33.18,-32.93,;32.26,-31.69,;30.74,-31.86,;32.87,-30.27,;34.2,-29.49,;34.21,-31.03,;31.97,-29.03,;30.44,-29.21,;29.83,-30.63,;29.52,-27.97,;30.14,-26.56,;31.67,-26.39,;32.58,-27.63,;34.12,-27.46,;34.72,-26.05,;33.81,-24.81,;32.28,-24.97,;28,-28.14,;27.08,-26.91,;27.69,-25.5,;25.55,-27.08,;24.94,-28.49,;25.85,-29.73,;25.22,-31.14,;26.14,-32.38,;27.68,-32.21,;28.29,-30.79,;27.37,-29.55,;24.64,-25.85,;23.1,-26.02,;22.49,-27.43,;22.18,-24.77,;22.8,-23.36,;24.33,-23.18,;24.94,-21.77,;26.47,-21.59,;27.08,-20.18,;28.61,-20,;26.16,-18.94,;20.66,-24.95,;19.74,-23.72,;18.21,-23.9,;20.35,-22.31,;21.85,-21.97,;21.99,-20.44,;23.32,-19.66,;20.58,-19.83,;19.57,-20.99,;18.04,-20.84,;17.16,-22.1,;17.39,-19.44,;18.28,-18.19,;19.82,-18.33,;15.86,-19.31,;15.82,-17.78,;17.15,-16.97,;14.46,-17.03,;14.43,-15.48,;13.07,-14.74,;13.04,-13.2,;14.37,-12.39,;11.68,-12.45,;11.65,-10.9,;10.29,-10.16,;10.26,-8.61,;8.9,-7.86,;8.87,-6.31,;7.51,-5.57,;7.48,-4.03,;8.8,-3.23,;10.16,-3.99,;11.49,-3.19,;12.83,-3.94,;14.16,-3.15,;15.51,-3.9,;16.84,-3.11,;18.18,-3.86,;18.21,-5.41,;19.51,-3.07,;20.87,-3.82,;22.19,-3.03,;23.55,-3.78,;24.88,-2.99,;24.85,-1.44,;26.23,-3.74,;26.26,-5.29,;27.61,-6.05,;28.92,-5.24,;30.28,-5.99,;31.6,-5.19,;32.94,-5.93,;32.99,-7.49,;34.28,-5.14,;35.63,-5.88,;36.95,-5.08,;38.29,-5.81,;39.62,-5.03,;40.96,-5.76,;42.3,-4.96,;43.64,-5.71,;44.97,-4.91,;46.32,-5.65,;47.65,-4.85,;48.98,-5.59,;50.31,-4.79,;51.66,-5.53,;52.99,-4.74,;54.34,-5.45,;55.66,-4.67,;57,-5.4,;58.33,-4.6,;59.67,-5.33,;58.29,-3.05,;28.9,-3.7,;27.56,-2.95,;22.17,-1.48,;23.5,-.68,;20.82,-.72,;40.47,-42.85,;41.09,-41.44,;41.38,-44.1,;42.91,-43.93,;43.54,-42.52,;45.07,-42.36,;45.69,-40.95,;47.22,-40.79,;47.84,-39.38,;49.37,-39.21,;46.93,-38.13,;43.82,-45.18,;43.2,-46.59,;45.35,-45.01,;46.26,-46.25,;45.64,-47.66,;44.11,-47.83,;43.48,-49.24,;41.95,-49.4,;44.39,-50.48,;47.79,-46.09,;48.41,-44.68,;48.7,-47.33,;50.23,-47.17,;50.85,-45.76,;52.38,-45.59,;53.01,-44.19,;54.54,-44.02,;55.16,-42.61,;56.69,-42.45,;54.25,-41.37,;51.14,-48.41,;50.52,-49.82,;52.67,-48.25,;53.58,-49.49,;52.96,-50.9,;53.86,-52.14,;53.24,-53.54,;54.14,-54.78,;55.67,-54.62,;56.3,-53.22,;55.39,-51.96,;55.11,-49.32,;56.02,-50.57,;55.73,-47.92,)|
Structure:
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