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Target
Calmodulin-domain protein kinase 1, putative
Ligand
BDBM50389702
Substrate
n/a
Meas. Tech.
luminescent kinase assay
IC50
0.400±n/a nM
Citation
 Van Voorhis, WC; Hol, WG; Larson, ET; Maly, DJ; Merritt, E; Ojo, KK Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases US Patent  US10544104 Publication Date 1/28/2020 
Target
Name:
Calmodulin-domain protein kinase 1, putative
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
60946.72
Organism:
Cryptosporidium parvum (strain Iowa II)
Description:
A3FQ16
Residue:
538
Sequence:
MGNTAVGNTGTRLRAPVDAVVNTTNKKAPVSEKPSQPQIPNKTSDVKKGGTMGGERGSVTTGMFVQSGSGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDHPNIMKLFEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQNTKMKDRIGTAYYIAPEVLRGTYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPWIQKYSSETPTISDLPSLESAMTNIRQFQAEKKLAQAALLYMASKLTTLDETKQLTEIFRKLDTNNDGMLDRDELVRGYHEFMRLKGVDSNSLIQNEGSTIEDQIDSLMPLLDMDGSGSIEYSEFIASAIDRTILLSRERMERAFKMFDKDGSGKISTKELFKLFSQADSSIQMEELESIIEQVDNNKDGEVDFNEFVEMLQNFVRNE
  
Inhibitor
Name:
BDBM50389702
Synonyms:
CHEMBL2070069 | US10544104, Compound 39 | US11247972, Compound 39 | US9765037, Compound 39
Type:
Small organic molecule
Emp. Form.:
C28H27ClN6O
Mol. Mass.:
499.007
SMILES:
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Structure:
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