Reaction Details Report a problem with these data
Target
Neuropeptide Y receptor type 4
Ligand
BDBM50532412
Substrate
n/a
Meas. Tech.
ChEMBL_1923152 (CHEMBL4426108)
EC50
5.5±n/a nM
Citation
 Liu, M; Mountford, SJ; Richardson, RR; Groenen, M; Holliday, ND; Thompson, PE Optically Pure, Structural, and Fluorescent Analogues of a Dimeric Y4 Receptor Agonist Derived by an Olefin Metathesis Approach. J Med Chem 59:6059-69 (2016) [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:
BDBM50532412
Synonyms:
CHEMBL4566802
Type:
Small organic molecule
Emp. Form.:
C116H163ClN30O20
Mol. Mass.:
2333.177
SMILES:
[Cl-].CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(CC3)C(=O)CCC(=O)N[C@@H](C\C=C/C[C@H](N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:42.43,65.67,84.86,99.102,122.126,141.145,37.37,wD:54.56,73.75,111.115,130.134,32.33,(52.05,-12.95,;46.38,-.37,;46.36,-1.9,;45.02,-2.65,;43.7,-1.87,;43.73,-.34,;45,-4.18,;43.65,-4.94,;43.63,-6.48,;44.95,-7.26,;44.94,-8.79,;43.61,-9.54,;42.29,-8.76,;40.95,-9.52,;40.95,-11.06,;42.27,-11.83,;43.59,-11.07,;44.91,-11.84,;45.57,-10.33,;44.91,-13.37,;46.23,-14.15,;46.22,-15.67,;44.89,-16.43,;43.56,-15.67,;43.57,-14.13,;44.89,-17.96,;43.56,-18.72,;46.21,-18.73,;46.21,-20.26,;47.53,-21.03,;48.86,-20.26,;47.53,-22.56,;48.87,-23.33,;48.87,-24.87,;47.53,-25.64,;47.53,-27.18,;48.87,-27.95,;48.87,-29.5,;47.53,-30.26,;50.2,-30.26,;50.2,-31.8,;51.53,-29.5,;52.9,-30.2,;54.19,-29.35,;55.57,-30.04,;55.65,-31.58,;57.03,-32.28,;58.32,-31.44,;59.7,-32.13,;58.24,-29.89,;56.86,-29.2,;52.99,-31.73,;51.7,-32.57,;54.37,-32.43,;54.46,-33.97,;53.17,-34.81,;53.25,-36.35,;51.96,-37.19,;52.05,-38.73,;53.41,-39.43,;53.5,-40.96,;54.7,-38.59,;55.83,-34.66,;57.12,-33.82,;55.92,-36.2,;57.29,-36.89,;58.58,-36.05,;59.96,-36.74,;61.25,-35.9,;60.04,-38.28,;57.38,-38.43,;56.09,-39.28,;58.75,-39.13,;58.84,-40.66,;57.55,-41.51,;57.63,-43.04,;56.35,-43.89,;56.43,-45.43,;55.14,-46.28,;53.77,-45.58,;55.23,-47.81,;60.21,-41.36,;61.5,-40.51,;60.3,-42.9,;61.68,-43.6,;62.97,-42.75,;64.34,-43.44,;64.43,-44.99,;65.8,-45.67,;67.09,-44.83,;68.47,-45.53,;67.01,-43.29,;65.63,-42.6,;61.76,-45.13,;63.14,-45.83,;60.48,-45.97,;50.2,-22.56,;50.2,-21.02,;51.54,-23.33,;52.22,-21.95,;51.35,-20.67,;52.02,-19.29,;53.57,-19.18,;54.24,-17.79,;53.38,-16.51,;54.05,-15.13,;51.84,-16.62,;51.16,-18.01,;53.75,-21.84,;54.61,-23.11,;54.43,-20.45,;55.96,-20.34,;56.83,-21.62,;58.36,-21.51,;59.22,-22.79,;60.77,-22.68,;61.63,-23.96,;60.95,-25.34,;63.16,-23.85,;56.64,-18.96,;55.78,-17.68,;58.18,-18.85,;58.85,-17.47,;57.99,-16.19,;58.66,-14.8,;57.8,-13.52,;60.2,-14.7,;60.39,-17.35,;61.25,-18.63,;61.06,-15.97,;62.6,-15.86,;63.46,-17.14,;65,-17.03,;65.86,-18.31,;67.4,-18.2,;68.26,-19.48,;67.58,-20.86,;69.8,-19.36,;63.27,-14.48,;62.41,-13.2,;64.81,-14.37,;65.49,-12.98,;64.63,-11.71,;65.3,-10.32,;66.84,-10.21,;67.51,-8.83,;66.65,-7.55,;67.32,-6.16,;65.11,-7.65,;64.43,-9.04,;67.02,-12.87,;67.7,-11.49,;67.88,-14.15,;46.26,-9.57,;46.24,-11.09,;47.55,-11.87,;48.88,-11.11,;48.89,-9.6,;47.59,-8.82,;47.61,-7.29,;46.3,-6.51,;46.32,-4.98,;50.2,-11.89,;50.18,-13.43,;48.85,-14.18,;51.53,-11.14,;51.55,-9.61,)|
Structure:
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