Reaction Details Report a problem with these data
Target
Calcium-dependent protein kinase 1
Ligand
BDBM36338
Substrate
MTIP
Meas. Tech.
Parasite Proliferation Assay
pH
7.5±0
Temperature
297.15±0 K
EC50
400±0 nM
Citation
Kato, N; Sakata, T; Breton, G; Le Roch, KG; Nagle, A; Andersen, C; Bursulaya, B; Henson, K; Johnson, J; Kumar, KA; Marr, F; Mason, D; McNamara, C; Plouffe, D; Ramachandran, V; Spooner, M; Tuntland, T; Zhou, Y; Peters, EC; Chatterjee, A; Schultz, PG; Ward, GE; Gray, N; Harper, J; Winzeler, EA Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility. Nat Chem Biol 4:347-56 (2008) [PubMed] Article
More Info.:
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:
BDBM36338
Synonyms:
CID24762168 | {4-[2-trans-(4-Amino-cyclohexylamino)-9-benzo[1,3]dioxol-5-yl-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone, 6
Type:
Small organic molecule
Emp. Form.:
C30H34N8O3
Mol. Mass.:
554.6428
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3ccc4OCOc4c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.89,;-7.34,.12,;-7.34,-1.42,;-6,-2.19,;-4.67,-1.42,;-4.67,.12,;-6,.89,;-3.33,-2.19,;-2,-1.42,;-2,.12,;-.67,.89,;-.67,2.43,;.67,3.2,;2,2.43,;3.33,3.2,;3.33,4.74,;2,5.51,;.67,4.74,;4.67,5.51,;4.67,7.05,;6,4.74,;6,3.2,;7.34,2.43,;8.67,3.2,;8.67,4.74,;7.34,5.51,;.67,.12,;2.13,.59,;3.04,-.65,;2.13,-1.9,;2.9,-3.23,;2.13,-4.57,;2.9,-5.9,;4.44,-5.9,;5.47,-7.05,;6.88,-6.42,;6.72,-4.89,;5.21,-4.57,;4.44,-3.23,;.67,-1.42,;-.67,-2.19,)|
Substrate
Name:
MTIP
Synonyms:
PFL2225w
Type:
Substrate
Mol. Mass.:
23466.36
Organism:
Plasmodium falciparum
Description:
Q8I4W8
Residue:
204
Sequence:
MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEESVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGDNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEAIDALNAFSSEDNIDYKLFCEDILQ