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Target
RAC-alpha serine/threonine-protein kinase
Ligand
BDBM50528419
Substrate
n/a
Meas. Tech.
ChEMBL_1904982 (CHEMBL4407340)
IC50
3.4±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:
BDBM50528419
Synonyms:
CHEMBL4531735
Type:
Small organic molecule
Emp. Form.:
C24H24Cl2F2N4O4
Mol. Mass.:
541.375
SMILES:
CC(=O)OCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(F)c(F)c1 |r,wU:9.12,6.5,wD:8.30,(80.83,-29.2,;79.5,-28.42,;79.51,-26.88,;78.16,-29.19,;76.83,-28.41,;75.5,-29.18,;74.16,-28.4,;74.17,-26.86,;72.84,-26.09,;71.5,-26.86,;71.5,-28.39,;72.83,-29.17,;70.17,-26.08,;68.83,-26.85,;68.83,-28.39,;67.5,-26.08,;66.09,-26.7,;65.06,-25.55,;65.83,-24.22,;65.21,-22.81,;67.34,-24.55,;63.52,-25.71,;62.75,-27.04,;63.37,-28.45,;61.25,-26.72,;61.09,-25.19,;62.5,-24.57,;62.82,-23.06,;72.84,-24.56,;71.5,-23.79,;71.51,-22.24,;72.83,-21.47,;72.83,-19.93,;74.17,-22.24,;75.5,-21.46,;74.18,-23.79,)|
Structure:
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