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Target
RAC-alpha serine/threonine-protein kinase
Ligand
BDBM50528431
Substrate
n/a
Meas. Tech.
ChEMBL_1904982 (CHEMBL4407340)
IC50
1.9±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:
BDBM50528431
Synonyms:
CHEMBL4447967
Type:
Small organic molecule
Emp. Form.:
C22H20Cl4N4O4
Mol. Mass.:
546.231
SMILES:
Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)=O)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:25.28,(63.36,-7.24,;63.04,-8.75,;61.63,-9.37,;61.79,-10.9,;63.29,-11.22,;63.92,-12.63,;64.07,-9.89,;65.6,-9.73,;66.63,-10.88,;68.05,-10.26,;67.88,-8.72,;66.38,-8.4,;65.75,-6.99,;69.38,-11.03,;69.37,-12.57,;70.71,-10.26,;72.04,-11.04,;72.04,-12.57,;73.37,-13.35,;74.71,-12.58,;76.04,-13.36,;77.37,-12.59,;78.71,-13.37,;77.38,-11.05,;74.71,-11.04,;73.38,-10.27,;73.38,-8.74,;72.05,-7.97,;72.05,-6.42,;73.38,-5.65,;73.37,-4.11,;74.71,-6.42,;76.04,-5.64,;74.72,-7.97,)|
Structure:
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