Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 2
Ligand
BDBM50197017
Substrate
n/a
Meas. Tech.
ChEMBL_453177 (CHEMBL902327)
Ki
18±n/a nM
Citation
 DeCarr, LB; Buckholz, TM; Coish, PD; Fathi, Z; Fisk, SE; Mays, MR; O'Connor, SJ; Lumb, KJ Identification of selective neuropeptide Y2 peptide agonists. Bioorg Med Chem Lett 17:538-41 (2007) [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:
BDBM50197017
Synonyms:
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-2-[(2S)-5-carbamimidamido-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-(2,3-dihydro-1H-indol-2-ylformamido)pentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanamido]-3-hydroxybutanamido]pentanamido]pentanediamide | CHEMBL411766
Type:
Small organic molecule
Emp. Form.:
C81H123N27O18
Mol. Mass.:
1763.0134
SMILES:
CC(C)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(=O)C1Cc2ccccc2N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |w:41.42,wU:76.79,77.82,4.4,94.97,20.28,61.64,114.117,wD:69.72,8.17,30.39,83.86,53.56,103.106,(13.65,3.52,;13.65,1.98,;14.98,1.21,;12.32,1.21,;12.32,-.33,;10.98,-1.09,;9.64,-.32,;9.64,1.22,;8.32,-1.09,;8.32,-2.63,;9.64,-3.4,;10.98,-2.63,;12.32,-3.4,;12.32,-4.94,;13.63,-5.7,;10.98,-5.71,;9.64,-4.94,;6.98,-.32,;5.65,-1.11,;5.65,-2.65,;4.33,-.34,;4.33,1.2,;5.65,1.97,;7.06,1.34,;8.09,2.49,;7.32,3.82,;5.82,3.51,;2.99,-1.1,;1.65,-.33,;1.65,1.21,;.32,-1.1,;.32,-2.64,;1.65,-3.41,;1.65,-4.95,;2.99,-5.72,;2.99,-7.26,;1.64,-8.02,;4.31,-8.02,;-1.01,-.33,;-2.34,-1.12,;-2.34,-2.66,;-3.66,-.36,;-3.83,1.18,;-5.33,1.49,;-6.09,2.82,;-7.63,2.82,;-8.4,1.48,;-7.63,.16,;-6.1,.16,;-5.07,-.98,;13.65,-1.1,;13.65,-2.64,;14.98,-.32,;16.31,-1.09,;16.31,-2.63,;17.64,-3.4,;18.96,-2.63,;17.64,-4.94,;17.64,-.32,;17.64,1.22,;18.97,-1.09,;20.31,-.33,;20.31,1.21,;21.64,1.98,;21.64,3.52,;22.98,1.21,;21.64,-1.1,;21.64,-2.64,;22.97,-.32,;24.3,-1.09,;24.3,-2.63,;25.63,-3.4,;22.97,-3.4,;25.63,-.32,;25.63,1.22,;26.97,-1.09,;28.3,-.32,;28.3,1.22,;26.97,1.99,;29.63,1.99,;29.63,-1.09,;29.63,-2.63,;30.96,-.32,;32.29,-1.09,;32.29,-2.63,;33.62,-3.4,;33.62,-4.94,;34.96,-5.7,;34.96,-7.24,;33.62,-8.01,;36.29,-8.01,;33.62,-.32,;33.62,1.22,;34.96,-1.08,;36.3,-.32,;36.3,1.22,;37.62,1.99,;37.62,3.53,;36.29,4.3,;38.96,4.3,;37.62,-1.09,;37.62,-2.63,;38.95,-.32,;40.29,-1.09,;40.29,-2.63,;41.62,-3.4,;41.62,-4.94,;42.95,-5.7,;42.95,-7.24,;41.61,-8.01,;44.29,-8.01,;41.62,-.32,;41.62,1.22,;42.95,-1.09,;44.29,-.32,;44.29,1.22,;45.62,1.99,;46.95,1.22,;48.29,1.99,;48.29,3.53,;49.62,4.3,;46.95,4.3,;45.62,3.53,;45.62,-1.09,;46.95,-.32,;45.62,-2.63,)|
Structure:
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