Reaction Details Report a problem with these data
Target
CAM kinase, CDPK family TgCDPK1
Ligand
BDBM416616
Substrate
n/a
Meas. Tech.
TgCDPK1 Enzymatic Inhibition Assay
IC50
3.50±n/a nM
Citation
 Hol, WG; Larson, ET; Maly, DJ; Van Voorhis, WC; Merritt, E; Ojo, KK Compositions and methods for treating toxoplasmosis, cryptosporidiosis and other apicomplexan protozoan related diseases US Patent  US10307425 Publication Date 6/4/2019 
Target
Name:
CAM kinase, CDPK family TgCDPK1
Synonyms:
TgCDPK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57248.42
Organism:
Toxoplasma gondii (strain ATCC 50861 / VEG)
Description:
n/a
Residue:
507
Sequence:
MGQQESTLGGAAGEPRSRGHAAGTSGGPGDHLHATPGMFVQHSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKELMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDKNNDGEVDFDEFQQMLLKLCGN
  
Inhibitor
Name:
BDBM416616
Synonyms:
4-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1-methylpiperidine-4-carbonitrile | US10307425, Example 83
Type:
Small organic molecule
Emp. Form.:
C26H27N7O
Mol. Mass.:
453.5389
SMILES:
CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)(CC1)C#N
Structure:
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