Reaction Details Report a problem with these data
Target
CAM kinase, CDPK family TgCDPK1
Ligand
BDBM416598
Substrate
n/a
Meas. Tech.
TgCDPK1 Enzymatic Inhibition Assay
IC50
2.90±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:
BDBM416598
Synonyms:
(3-((4-amino-3-(6-cyclopropoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)oxetan-3-yl)methanol | US10307425, Example 65 | US10632122, Example 65
Type:
Small organic molecule
Emp. Form.:
C23H23N5O3
Mol. Mass.:
417.4604
SMILES:
Nc1ncnc2n(CC3(CO)COC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Structure:
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