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Target
Serine/threonine-protein kinase PAK 1
Ligand
BDBM50097144
Substrate
n/a
Meas. Tech.
ChEMBL_1499557 (CHEMBL3584415)
Ki
21±n/a nM
Citation
 Crawford, JJ; Lee, W; Aliagas, I; Mathieu, S; Hoeflich, KP; Zhou, W; Wang, W; Rouge, L; Murray, L; La, H; Liu, N; Fan, PW; Cheong, J; Heise, CE; Ramaswamy, S; Mintzer, R; Liu, Y; Chao, Q; Rudolph, J Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors. J Med Chem 58:5121-36 (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:
BDBM50097144
Synonyms:
CHEMBL3580963
Type:
Small organic molecule
Emp. Form.:
C17H25N7
Mol. Mass.:
327.4273
SMILES:
N[C@H]1CC[C@@H](CNc2nccc(Nc3cc([nH]n3)C3CC3)n2)CC1 |r,wU:4.4,1.0,(-1.34,-9.7,;-1.34,-8.47,;-2.68,-7.7,;-2.68,-6.16,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.66,3.08,;-3.91,3.97,;-3.43,5.43,;-1.89,5.43,;-1.42,3.96,;-4.33,6.68,;-5.62,7.36,;-4.29,8.14,;-1.33,-.77,;-.01,-6.16,;-.01,-7.7,)|
Structure:
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