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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Calcium-dependent protein kinase 1 | ||
| Ligand | BDBM36336 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2194680 (CHEMBL5107040) | ||
| IC50 | 2.1±n/a nM | ||
| Citation |  Galal, KA; Truong, A; Kwarcinski, F; de Silva, C; Avalani, K; Havener, TM; Chirgwin, ME; Merten, E; Ong, HW; Willis, C; Abdelwaly, A; Helal, MA; Derbyshire, ER; Zutshi, R; Drewry, DH Identification of Novel 2,4,5-Trisubstituted Pyrimidines as Potent Dual Inhibitors of Plasmodial J Med Chem65:13172-13197 (2022) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Calcium-dependent protein kinase 1 | |||
| 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: |
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| BDBM36336 | |||
| n/a | |||
| 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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