Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 2
Ligand
BDBM50197009
Substrate
n/a
Meas. Tech.
ChEMBL_453177 (CHEMBL902327)
Ki
6±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:
BDBM50197009
Synonyms:
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(4-amino-2-chlorophenyl)formamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]pentanediamide | CHEMBL436630
Type:
Small organic molecule
Emp. Form.:
C79H120ClN27O18
Mol. Mass.:
1771.421
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)c1ccc(N)cc1Cl)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 |wU:75.77,76.80,4.4,93.95,20.28,60.62,113.115,wD:68.70,8.17,30.39,82.84,52.54,102.104,(10.74,-29.55,;10.74,-31.09,;12.08,-31.86,;9.41,-31.86,;9.41,-33.4,;8.07,-34.16,;6.74,-33.39,;6.74,-31.85,;5.41,-34.16,;5.41,-35.7,;6.74,-36.47,;8.07,-35.7,;9.41,-36.47,;9.41,-38.01,;10.72,-38.77,;8.07,-38.78,;6.74,-38.01,;4.07,-33.39,;2.75,-34.18,;2.75,-35.72,;1.42,-33.41,;1.42,-31.87,;2.75,-31.1,;4.15,-31.73,;5.19,-30.58,;4.42,-29.25,;2.91,-29.57,;.08,-34.17,;-1.26,-33.4,;-1.26,-31.86,;-2.58,-34.17,;-2.58,-35.71,;-1.26,-36.48,;-1.26,-38.02,;.08,-38.79,;.09,-40.33,;-1.26,-41.09,;1.4,-41.09,;-3.92,-33.4,;-5.24,-34.19,;-5.24,-35.73,;-6.58,-33.42,;-6.58,-31.88,;-7.91,-31.11,;-9.24,-31.88,;-10.58,-31.12,;-9.24,-33.43,;-7.9,-34.19,;-7.9,-35.73,;10.74,-34.17,;10.74,-35.71,;12.07,-33.39,;13.4,-34.16,;13.4,-35.7,;14.73,-36.47,;16.06,-35.7,;14.73,-38.01,;14.73,-33.39,;14.73,-31.85,;16.07,-34.16,;17.4,-33.4,;17.4,-31.86,;18.73,-31.09,;18.73,-29.55,;20.07,-31.86,;18.73,-34.17,;18.73,-35.71,;20.06,-33.39,;21.39,-34.16,;21.39,-35.7,;22.72,-36.47,;20.06,-36.47,;22.72,-33.39,;22.72,-31.85,;24.06,-34.16,;25.39,-33.39,;25.39,-31.85,;24.06,-31.08,;26.72,-31.08,;26.72,-34.16,;26.72,-35.7,;28.05,-33.39,;29.38,-34.16,;29.38,-35.7,;30.71,-36.47,;30.71,-38.01,;32.05,-38.77,;32.05,-40.31,;30.71,-41.08,;33.39,-41.08,;30.71,-33.39,;30.71,-31.85,;32.05,-34.16,;33.39,-33.39,;33.39,-31.85,;34.72,-31.08,;34.72,-29.54,;33.38,-28.77,;36.05,-28.77,;34.72,-34.16,;34.72,-35.7,;36.05,-33.39,;37.38,-34.16,;37.38,-35.7,;38.71,-36.47,;38.71,-38.01,;40.04,-38.78,;40.04,-40.32,;38.71,-41.08,;41.38,-41.08,;38.71,-33.39,;38.71,-31.85,;40.04,-34.16,;41.38,-33.39,;41.38,-31.85,;42.71,-31.08,;44.04,-31.85,;45.38,-31.08,;45.38,-29.54,;46.71,-28.77,;44.04,-28.77,;42.71,-29.54,;42.71,-34.16,;44.04,-33.39,;42.71,-35.7,)|
Structure:
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