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Target
Serine/threonine-protein kinase PAK 1
Ligand
BDBM50096237
Substrate
n/a
Meas. Tech.
ChEMBL_1505869 (CHEMBL3595326)
Ki
111±n/a nM
Citation
 Rudolph, J; Aliagas, I; Crawford, JJ; Mathieu, S; Lee, W; Chao, Q; Dong, P; Rouge, L; Wang, W; Heise, C; Murray, LJ; La, H; Liu, Y; Manning, G; Diederich, F; Hoeflich, KP Leveraging the Pre-DFG Residue Thr-406 To Obtain High Kinase Selectivity in an Aminopyrazole-Type PAK1 Inhibitor Series. ACS Med Chem Lett 6:711-5 (2015) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase PAK 1
Synonyms:
2.7.11.1 | Alpha-PAK | Cell division control protein 42 homolog | PAK 1/CDC42 | PAK-1 | PAK1 | PAK1_HUMAN | Serine/threonine-protein kinase PAK 1/PAK 2/PAK 3 | p21-activated kinase 1 | p65-PAK
Type:
n/a
Mol. Mass.:
60640.15
Organism:
Homo sapiens (Human)
Description:
Q13153
Residue:
545
Sequence:
MSNNGLDIQDKPPAPPMRNTSTMIGAGSKDAGTLNHGSKPLPPNPEEKKKKDRFYRSILPGDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKNPQAVLDVLEFYNSKKTSNSQKYMSFTDKSAEDYNSSNALNVKAVSETPAVPPVSEDEDDDDDDATPPPVIAPRPEHTKSVYTRSVIEPLPVTPTRDVATSPISPTENNTTPPDALTRNTEKQKKKPKMSDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH
  
Inhibitor
Name:
BDBM50096237
Synonyms:
CHEMBL3594176
Type:
Small organic molecule
Emp. Form.:
C19H28N8O
Mol. Mass.:
384.4786
SMILES:
CN1CC[C@@H](C1=O)c1cc(Nc2ccnc(NC[C@H]3CC[C@H](N)CC3)n2)n[nH]1 |r,wU:18.18,4.7,wD:21.22,(3.92,-10.74,;4.08,-9.51,;5.43,-8.77,;5.14,-7.26,;3.62,-7.09,;2.96,-8.46,;1.74,-8.68,;2.99,-5.68,;1.49,-5.37,;1.34,-3.85,;0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-8.01,3.07,;-9.07,3.69,;-6.67,3.84,;-5.34,3.07,;-1.33,-.77,;2.72,-3.21,;3.76,-4.35,)|
Structure:
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