Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase PAK 2
Ligand
BDBM50182404
Substrate
n/a
Meas. Tech.
ChEBML_1584629
Ki
940±n/a nM
Citation
 Rudolph, J; Murray, LJ; Ndubaku, CO; O'Brien, T; Blackwood, E; Wang, W; Aliagas, I; Gazzard, L; Crawford, JJ; Drobnick, J; Lee, W; Zhao, X; Hoeflich, KP; Favor, DA; Dong, P; Zhang, H; Heise, CE; Oh, A; Ong, CC; La, H; Chakravarty, P; Chan, C; Jakubiak, D; Epler, J; Ramaswamy, S; Vega, R; Cain, G; Diaz, D; Zhong, Y Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J Med Chem 59:5520-41 (2016) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase PAK 2
Synonyms:
PAK2 | PAK2_HUMAN | Serine/threonine-protein kinase PAK 1/PAK 2/PAK 3 | Serine/threonine-protein kinase PAK 2 | Serine/threonine-protein kinase PAK 2 (PAK2) | p21-Activated kinase 2 (PAK2)
Type:
Enzyme
Mol. Mass.:
58037.40
Organism:
Homo sapiens (Human)
Description:
Q13177
Residue:
524
Sequence:
MSDNGELEDKPPAPPVRMSSTIFSTGGKDPLSANHSLKPLPSVPEEKKPRHKIISIFSGTEKGSKKKEKERPEISPPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKLEQKKNPQAVLDVLKFYDSNTVKQKYLSFTPPEKDGFPSGTPALNAKGTEAPAVVTEEEDDDEETAPPVIAPRPDHTKSIYTRSVIDPVPAPVGDSHVDGAAKSLDKQKKKTKMTDEEIMEKLRTIVSIGDPKKKYTRYEKIGQGASGTVFTATDVALGQEVAIKQINLQKQPKKELIINEILVMKELKNPNIVNFLDSYLVGDELFVVMEYLAGGSLTDVVTETCMDEAQIAAVCRECLQALEFLHANQVIHRDIKSDNVLLGMEGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMVEGEPPYLNENPLRALYLIATNGTPELQNPEKLSPIFRDFLNRCLEMDVEKRGSAKELLQHPFLKLAKPLSSLTPLIMAAKEAMKSNR
  
Inhibitor
Name:
BDBM50182404
Synonyms:
CHEMBL3819371
Type:
Small organic molecule
Emp. Form.:
C25H25ClN6O
Mol. Mass.:
460.959
SMILES:
Cc1cncc(n1)-c1ccc(c(Cl)c1)-c1cc2cncnc2n(C[C@H]2CC[C@H](N)CC2)c1=O |r,wU:27.30,wD:24.26,(-9.31,7.43,;-9.32,6.2,;-10.66,5.43,;-10.67,3.89,;-9.34,3.12,;-8,3.88,;-7.99,5.42,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-4.01,1.54,;-5.35,.78,;-5.36,-.45,;-6.68,1.56,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.39,-6.02,;-3.98,-6.17,;-2.65,-5.39,;-2.68,-.77,;-3.75,-1.39,)|
Structure:
Search PDB for entries with ligand similarity: