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Target
RAC-alpha serine/threonine-protein kinase
Ligand
BDBM50204334
Substrate
n/a
Meas. Tech.
ChEMBL_454401 (CHEMBL903578)
IC50
>500000±n/a nM
Citation
 Kayser, KJ; Glenn, MP; Sebti, SM; Cheng, JQ; Hamilton, AD Modifications of the GSK3beta substrate sequence to produce substrate-mimetic inhibitors of Akt as potential anti-cancer therapeutics. Bioorg Med Chem Lett 17:2068-73 (2007) [PubMed]  Article 
Target
Name:
RAC-alpha serine/threonine-protein kinase
Synonyms:
AKT phosphorylation (p-AKT) | AKT1 | AKT1/PPP1CA | AKT1_HUMAN | C-AKT | PKB | PKB alpha | Protein kinase Akt-1 | Protein kinase B | Protein kinase B (AKT1) | Protein kinase B (Akt 1) | Protein kinase B (Akt) | Protein kinase B alpha | Protein kinase B alpha (AKT1) | Proto-oncogene Akt (Akt1) | Proto-oncogene c-Akt (AKT) | Proto-oncogene c-Akt (AKT1) | RAC | RAC-PK-alpha | RAC-alpha serine/threonine-protein kinase (AKT) | RAC-alpha serine/threonine-protein kinase (AKT1) | RAC-alpha serine/threonine-protein kinase (pAKT)
Type:
Enzyme
Mol. Mass.:
55681.25
Organism:
Homo sapiens (Human)
Description:
P31749
Residue:
480
Sequence:
MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA
  
Inhibitor
Name:
BDBM50204334
Synonyms:
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-(2-acetamidoacetamido)pentanoyl]pyrrolidin-2-yl]formamido}pentanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid | CHEMBL437750
Type:
Small organic molecule
Emp. Form.:
C49H71N15O12
Mol. Mass.:
1062.1813
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:44.44,7.14,1.1,45.47,65.67,25.33,18.17,wD:3.3,51.51,(15.5,-25.05,;14.13,-24.34,;12.87,-25.16,;14.06,-22.8,;12.7,-22.08,;11.39,-22.9,;11.45,-24.42,;10.02,-22.18,;9.96,-20.64,;11.25,-19.81,;11.18,-18.27,;12.48,-17.45,;12.4,-15.91,;13.75,-15.09,;11.07,-15.21,;8.74,-23.03,;7.37,-22.32,;6.07,-23.16,;7.3,-20.78,;8.51,-19.83,;7.96,-18.38,;6.44,-18.46,;6.01,-19.94,;4.56,-20.48,;4.31,-22,;3.37,-19.49,;3.63,-17.97,;5.08,-17.43,;5.34,-15.9,;6.79,-15.37,;7.05,-13.84,;8.49,-13.3,;5.85,-12.85,;1.92,-20.03,;.73,-19.05,;.99,-17.53,;-.72,-19.58,;-1.91,-18.6,;-3.36,-19.14,;-3.61,-20.67,;-4.55,-18.15,;15.37,-21.97,;15.29,-20.43,;16.74,-22.66,;18.03,-21.82,;17.96,-20.28,;16.59,-19.57,;19.29,-19.45,;19.4,-22.53,;19.48,-24.07,;20.71,-21.71,;22.06,-22.43,;22.13,-23.97,;23.32,-24.95,;24.78,-24.56,;25.63,-25.85,;24.63,-27.02,;24.86,-28.51,;23.67,-29.46,;22.27,-28.9,;22.05,-27.41,;23.23,-26.46,;23.38,-21.62,;23.31,-20.07,;24.75,-22.31,;26.04,-21.46,;25.98,-19.94,;27.26,-19.11,;28.63,-19.81,;29.92,-18.99,;29.86,-17.45,;28.49,-16.75,;27.19,-17.57,;27.4,-22.19,;28.72,-21.37,;27.48,-23.73,)|
Structure:
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