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TargetPAK1
LigandBDBM50148927
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1557609
IC50 45±n/a nM
Citation Ndubaku, COCrawford, JJDrobnick, JAliagas, ICampbell, DDong, PDornan, LMDuron, SEpler, JGazzard, LHeise, CEHoeflich, KPJakubiak, DLa, HLee, WLin, BLyssikatos, JPMaksimoska, JMarmorstein, RMurray, LJO'Brien, TOh, ARamaswamy, SWang, WZhao, XZhong, YBlackwood, ERudolph, J Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. ACS Med Chem Lett6:1241-6 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
PAK1
Name:PAK1
Synonyms:2.7.11.1 | Alpha-PAK | PAK-1 | Serine/threonine-protein kinase PAK 1 | p21-activated kinase 1 | p65-PAK
Type:n/a
Mol. Mass.:60640.15
Organism:Homo sapiens (Human)
Description:Q13153
Residue:545
Sequence:
MSNNGLDIQDKPPAPPMRNTSTMIGAGSKDAGTLNHGSKPLPPNPEEKKKKDRFYRSILP
GDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKN
PQAVLDVLEFYNSKKTSNSQKYMSFTDKSAEDYNSSNALNVKAVSETPAVPPVSEDEDDD
DDDATPPPVIAPRPEHTKSVYTRSVIEPLPVTPTRDVATSPISPTENNTTPPDALTRNTE
KQKKKPKMSDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQ
MNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETC
MDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSK
RSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNG
TPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEA
TKNNH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50148927
NameBDBM50148927
Synonyms:CHEMBL3770588
TypeSmall organic molecule
Emp. Form.C28H31ClN6O
Mol. Mass.503.038
SMILESCCNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1 |r,wU:27.28,wD:30.32,(-6.42,1.38,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
Structure
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