| Reaction Details |
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 | Report a problem with these data |
| Target | RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase |
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| Ligand | BDBM182322 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2116380 (CHEMBL4825321) |
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| IC50 | >1000±n/a nM |
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| Citation |  Xiao, Y; Huck, BR; Lan, R; DeSelm, L; Chen, X; Qiu, H; Neagu, C; Johnson, T; Mochalkin, I; Gardberg, A; Jiang, X; Tian, H; Dutt, V; Santos, D; Head, J; Jackson, J; Syed, S; Lin, J; Wilker, E; Ma, J; Clark, A; Machl, A; Bankston, D; Jones, CCV; Goutopoulos, A; Sherer, B Discovery of 4-aminopyrimidine analogs as highly potent dual P70S6K/Akt inhibitors. Bioorg Med Chem Lett50:0 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase |
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| Name: | RAC-alpha/RAC-beta/RAC-gamma serine/threonine-protein kinase |
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| Synonyms: | Serine/threonine-protein kinase AKT |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 30507 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | RAC-beta serine/threonine-protein kinase |
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| Synonyms: | AKT2 | AKT2_HUMAN | PKB beta | Protein kinase Akt-2 | Protein kinase B (Akt 2) | Protein kinase B beta (AKT2) | Protein kinase B, beta | RAC-PK-beta | RAC-alpha serine/threonine-protein kinase (AKT2) | RAC-beta serine/threonine-protein kinase | RAC-beta serine/threonine-protein kinase (AKT2) | Serine/threonine-protein kinase AKT | Serine/threonine-protein kinase AKT2 | Serine/threonine-protein kinase Rac alpha/beta |
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| Type: | Enzyme |
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| Mol. Mass.: | 55766.64 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 481 |
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| Sequence: | MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLPPLNNFSVAEC
QLMKTERPRPNTFVIRCLQWTTVIERTFHVDSPDEREEWMRAIQMVANSLKQRAPGEDPM
DYKCGSPSDSSTTEEMEVAVSKARAKVTMNDFDYLKLLGKGTFGKVILVREKATGRYYAM
KILRKEVIIAKDEVAHTVTESRVLQNTRHPFLTALKYAFQTHDRLCFVMEYANGGELFFH
LSRERVFTEERARFYGAEIVSALEYLHSRDVVYRDIKLENLMLDKDGHIKITDFGLCKEG
ISDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHERLFE
LILMEEIRFPRTLSPEAKSLLAGLLKKDPKQRLGGGPSDAKEVMEHRFFLSINWQDVVQK
KLLPPFKPQVTSEVDTRYFDDEFTAQSITITPPDRYDSLGLLELDQRTHFPQFSYSASIR
E
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| Component 2 |
| Name: | RAC-gamma serine/threonine-protein kinase |
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| Synonyms: | AKT3 | AKT3_HUMAN | PKB gamma | PKBG | Protein kinase Akt-3 | Protein kinase B (Akt 3) | Protein kinase B, gamma | RAC-PK-gamma | RAC-gamma serine/threonine-protein kinase | STK-2 | Serine/threonine-protein kinase AKT | Serine/threonine-protein kinase AKT3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55769.36 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 479 |
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| Sequence: | MSDVTIVKEGWVQKRGEYIKNWRPRYFLLKTDGSFIGYKEKPQDVDLPYPLNNFSVAKCQ
LMKTERPKPNTFIIRCLQWTTVIERTFHVDTPEEREEWTEAIQAVADRLQRQEEERMNCS
PTSQIDNIGEEEMDASTTHHKRKTMNDFDYLKLLGKGTFGKVILVREKASGKYYAMKILK
KEVIIAKDEVAHTLTESRVLKNTRHPFLTSLKYSFQTKDRLCFVMEYVNGGELFFHLSRE
RVFSEDRTRFYGAEIVSALDYLHSGKIVYRDLKLENLMLDKDGHIKITDFGLCKEGITDA
ATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILM
EDIKFPRTLSSDAKSLLSGLLIKDPNKRLGGGPDDAKEIMRHSFFSGVNWQDVYDKKLVP
PFKPQVTSETDTRYFDEEFTAQTITITPPEKYDEDGMDCMDNERRPHFPQFSYSASGRE
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| Component 3 |
| Name: | RAC-alpha serine/threonine-protein kinase |
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| 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) |
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| Type: | Enzyme |
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| Mol. Mass.: | 55681.25 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P31749 |
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| Residue: | 480 |
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| Sequence: | MSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQC
QLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQEEEEMDF
RSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKI
LKKEVIVAKDEVAHTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLS
RERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGI
KDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFEL
ILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKK
LSPPFKPQVTSETDTRYFDEEFTAQMITITPPDQDDSMECVDSERRPHFPQFSYSASGTA
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| BDBM182322 |
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| n/a |
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| Name | BDBM182322 |
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| Synonyms: | US9145392, 23 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H23F5N6 |
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| Mol. Mass. | 514.493 |
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| SMILES | Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccccc1F)-c1ccc(F)c(c1)C(F)(F)F |(-5,1.39,;-3.66,2.16,;-3.19,3.63,;-1.65,3.63,;-1.17,2.16,;-2.42,1.26,;-2.42,-.28,;-3.75,-1.05,;-3.75,-2.59,;-2.42,-3.36,;-1.08,-2.59,;-1.08,-1.05,;-2.42,-4.9,;-3.75,-5.67,;-3.75,-7.21,;-2.42,-7.98,;-1.08,-7.21,;.25,-7.98,;-1.08,-5.67,;.25,-4.9,;.25,-3.36,;1.59,-2.59,;2.92,-3.36,;2.92,-4.9,;1.59,-5.67,;1.59,-7.21,;-.56,4.72,;-.96,6.2,;.13,7.29,;1.62,6.89,;2.71,7.98,;2.11,5.34,;.93,4.32,;3.6,4.93,;5.08,4.51,;4.01,6.41,;3.18,3.44,)| |
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| Structure | 
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