Reaction Details Report a problem with these data
Target
Casein kinase II subunit alpha'
Ligand
BDBM142790
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
Temperature
303.15±n/a K
IC50
0.54±n/a nM
Comments
extracted
Citation
 Purandare, AV; Fink, BE; Gavai, AV; Johnson, WL; Hart, AC; He, L; Huynh, TN; Inghrim, J; Mastalerz, H; Sang, X; Tarby, CM; Wan, H; Vaccaro, W; Zhang, G; Zhao, Y; Zimmermann, K Imidazotriazinecarbonitriles useful as kinase inhibitors US Patent  US8940736 Publication Date 1/27/2015 
Target
Name:
Casein kinase II subunit alpha'
Synonyms:
CK2A2 | CSK22_HUMAN | CSNK2A2 | Casein kinase II alpha (prime) | Casein kinase II alpha' | Casein kinase II subunit alpha (CK2A2) | Casein kinase II subunit alpha (CSNK2A2)
Type:
Protein
Mol. Mass.:
41223.82
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
350
Sequence:
MPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPCADNAVLSSGLTAAR
  
Inhibitor
Name:
BDBM142790
Synonyms:
US8940736, 133
Type:
Small organic molecule
Emp. Form.:
C25H27ClN10O
Mol. Mass.:
519.001
SMILES:
O[C@H]1C[C@H](C1)NC1CCN(CC1)c1cc(cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl)C#N |r,wU:3.5,1.0,(10.45,-1.86,;9.11,-2.63,;8.72,-4.11,;7.23,-3.72,;7.63,-2.23,;5.89,-4.49,;4.56,-3.72,;3.23,-4.49,;1.89,-3.72,;1.89,-2.18,;3.23,-1.41,;4.56,-2.18,;.56,-1.41,;.56,.13,;-.77,.9,;-2.11,.13,;-2.11,-1.41,;-3.44,-2.18,;-4.78,-1.41,;-4.78,.13,;-6.11,.9,;-6.11,2.44,;-7.44,3.21,;-8.21,4.55,;-8.98,3.21,;-7.44,.13,;-8.91,.61,;-9.81,-.64,;-8.91,-1.88,;-9.68,-3.21,;-10.45,-4.55,;-7.44,-1.41,;-6.11,-2.18,;-.77,-2.18,;-.77,-3.72,;-.77,2.44,;-.77,3.98,)|
Structure:
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