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Target
Serine/threonine-protein kinase PAK 3
Ligand
BDBM50601538
Substrate
n/a
Meas. Tech.
ChEMBL_2237487 (CHEMBL5151383)
IC50
140±n/a nM
Citation
 Tesch, R; Rak, M; Raab, M; Berger, LM; Kronenberger, T; Joerger, AC; Berger, BT; Abdi, I; Hanke, T; Poso, A; Strebhardt, K; Sanhaji, M; Knapp, S Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J Med Chem 64:8142-8160 (2021) [PubMed] 
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:
BDBM50601538
Synonyms:
CHEMBL5090394
Type:
Small organic molecule
Emp. Form.:
C24H22ClFN6O3
Mol. Mass.:
496.921
SMILES:
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
Structure:
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