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Target
RAC-alpha serine/threonine-protein kinase
Ligand
BDBM50528410
Substrate
n/a
Meas. Tech.
ChEMBL_1904982 (CHEMBL4407340)
IC50
4.0±n/a nM
Citation
 Dong, X; Zhan, W; Zhao, M; Che, J; Dai, X; Wu, Y; Xu, L; Zhou, Y; Zhao, Y; Tian, T; Cheng, G; Jin, Z; Li, J; Shao, Y; He, Q; Yang, B; Weng, Q; Hu, Y Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design. J Med Chem 62:7264-7288 (2019) [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:
BDBM50528410
Synonyms:
CHEMBL4589576
Type:
Small organic molecule
Emp. Form.:
C25H25Cl4N5O3
Mol. Mass.:
585.31
SMILES:
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(=O)NC2CC2)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:28.32,(60.53,-24.37,;60.21,-25.88,;58.8,-26.5,;58.96,-28.03,;60.46,-28.36,;61.09,-29.77,;61.24,-27.03,;62.77,-26.87,;63.8,-28.01,;65.22,-27.39,;65.05,-25.86,;63.55,-25.54,;62.92,-24.13,;66.55,-28.17,;66.54,-29.7,;67.88,-27.4,;69.22,-28.17,;69.21,-29.71,;70.54,-30.48,;71.88,-29.72,;73.21,-30.49,;74.55,-29.73,;74.55,-28.19,;75.88,-30.5,;77.21,-29.74,;78.75,-29.74,;77.98,-28.4,;71.89,-28.17,;70.55,-27.4,;70.55,-25.87,;69.22,-25.1,;69.22,-23.56,;70.55,-22.79,;70.54,-21.25,;71.88,-23.55,;73.21,-22.78,;71.89,-25.1,)|
Structure:
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