Reaction Details Report a problem with these data
Target
Calmodulin-domain protein kinase 1
Ligand
BDBM416580
Substrate
n/a
Meas. Tech.
Enzymatic Inhibition Assay
IC50
10.8±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  US10632122 Publication Date 4/28/2020 
Target
Name:
Calmodulin-domain protein kinase 1
Synonyms:
Calmodulin-domain protein kinase 1 | Calmodulin-domain protein kinase 1 (CDPK1) | Calmodulin-domain protein kinase, putative
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57248.42
Organism:
Toxoplasma gondii
Description:
n/a
Residue:
507
Sequence:
MGQQESTLGGAAGEPRSRGHAAGTSGGPGDHLHATPGMFVQHSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKELMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDKNNDGEVDFDEFQQMLLKLCGN
  
Inhibitor
Name:
BDBM416580
Synonyms:
3-(7-ethoxynaphthalen-2-yl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | US10307425, Example 47 | US10632122, Example 47
Type:
Small organic molecule
Emp. Form.:
C21H23N5O
Mol. Mass.:
361.4402
SMILES:
CCOc1ccc2ccc(cc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
Structure:
Search PDB for entries with ligand similarity: