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Target
Serine/threonine-protein kinase PAK 3
Ligand
BDBM50359359
Substrate
n/a
Meas. Tech.
ChEMBL_793933 (CHEMBL1931525)
IC50
>30000±n/a nM
Citation
 Moffett, K; Konteatis, Z; Nguyen, D; Shetty, R; Ludington, J; Fujimoto, T; Lee, KJ; Chai, X; Namboodiri, H; Karpusas, M; Dorsey, B; Guarnieri, F; Bukhtiyarova, M; Springman, E; Michelotti, E Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg Med Chem Lett 21:7155-65 (2011) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase PAK 3
Synonyms:
OPHN3 | PAK3 | PAK3_HUMAN | Serine/threonine-protein kinase PAK 1/PAK 2/PAK 3 | Serine/threonine-protein kinase PAK 3 | p21-Activated kinase 3 (PAK3)
Type:
Enzyme
Mol. Mass.:
62298.33
Organism:
Homo sapiens (Human)
Description:
O75914
Residue:
559
Sequence:
MSDGLDNEEKPPAPPLRMNSNNRDSSALNHSSKPLPMAPEEKNKKARLRSIFPGGGDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTPDLYGSQMCPGKLPEGIPEQWARLLQTSNITKLEQKKNPQAVLDVLKFYDSKETVNNQKYMSFTSGDKSAHGYIAAHPSSTKTASEPPLAPPVSEEEDEEEEEEEDENEPPPVIAPRPEHTKSIYTRSVVESIASPAVPNKEVTPPSAENANSSTLYRNTDRQRKKSKMTDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTALDIATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALDFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMVEGEPPYLNENPLRALYLIATNGTPELQNPERLSAVFRDFLNRCLEMDVDRRGSAKELLQHPFLKLAKPLSSLTPLIIAAKEAIKNSSR
  
Inhibitor
Name:
BDBM50359359
Synonyms:
CHEMBL1929238
Type:
Small organic molecule
Emp. Form.:
C25H33Cl2N5O3S
Mol. Mass.:
554.532
SMILES:
CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Structure:
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