Reaction Details Report a problem with these data
Target
CAM kinase, CDPK family TgCDPK1
Ligand
BDBM416648
Substrate
n/a
Meas. Tech.
TgCDPK1 Enzymatic Inhibition Assay
IC50
3.00±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:
BDBM416648
Synonyms:
1-((6-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-yl)oxy)-2-methylpropan-2-ol | US10307425, Example 117 | US10632122, Example 117
Type:
Small organic molecule
Emp. Form.:
C22H25N5O2
Mol. Mass.:
391.4662
SMILES:
CC(C)n1nc(-c2ccc3cc(OCC(C)(C)O)ccc3c2)c2c(N)ncnc12
Structure:
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