Reaction Details Report a problem with these data
Target
Calcium-dependent protein kinase 1
Ligand
BDBM36336
Substrate
n/a
Meas. Tech.
ChEMBL_1734033 (CHEMBL4149569)
IC50
13±n/a nM
Citation
 Cabrera, DG; Horatscheck, A; Wilson, CR; Basarab, G; Eyermann, CJ; Chibale, K Plasmodial Kinase Inhibitors: License to Cure? J Med Chem 61:8061-8077 (2018) [PubMed]  Article 
Target
Name:
Calcium-dependent protein kinase 1
Synonyms:
CDPK1 | CDPK1_PLAFK | CPK1 | Calcium-dependent protein kinase 1 | PfCDPK1
Type:
PROTEIN
Mol. Mass.:
60804.87
Organism:
Plasmodium Falciparum
Description:
P62343
Residue:
524
Sequence:
MGCSQSSNVKDFKTRRSKFTNGNNYGKSGNNKNSEDLAINPGMYVRKKEGKIGESYFKVRKLGSGAYGEVLLCREKHGHGEKAIKVIKKSQFDKMKYSITNKIECDDKIHEEIYNEISLLKSLDHPNIIKLFDVFEDKKYFYLVTEFYEGGELFEQIINRHKFDECDAANIMKQILSGICYLHKHNIVHRDIKPENILLENKHSLLNIKIVDFGLSSFFSKDNKLRDRLGTAYYIAPEVLRKKYNEKCDVWSCGVILYILLCGYPPFGGQNDQDIIKKVEKGKYYFDFNDWKNISEEAKELIKLMLTYDYNKRITAKEALNSKWIKKYANNINKSDQKTLCGALSNMRKFEGSQKLAQAAILFIGSKLTTLEERKELTDIFKKLDKNGDGQLDKKELIEGYNILRSFKNELGELKNVEEEVDNILKEVDFDKNGYIEYSEFISVCMDKQILFSEERLRDAFNLFDTDKSGKITKEELANLFGLTSISEQMWNEVLGEADKNKDNMIDFDEFVNMMHKICDNKSS
  
Inhibitor
Name:
BDBM36336
Synonyms:
CID24762166 | Purfalcamine, 1
Type:
Small organic molecule
Emp. Form.:
C29H33FN8O
Mol. Mass.:
528.6237
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
Structure:
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