Reaction Details Report a problem with these data
Target
Calcium-dependent protein kinase 1
Ligand
BDBM36339
Substrate
MTIP
Meas. Tech.
Parasite Proliferation Assay
pH
7.5±0
Temperature
297.15±0 K
EC50
>10000±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:
BDBM36339
Synonyms:
3-{2-trans-(4-Amino-cyclohexylamino)-6-[4-(piperidine-1-carbonyl)-phenylamino]-purin-9-yl}-benzoic acid, 7 | CID24762169
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(-c3cccc(c3)C(O)=O)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,;4.44,-3.81,;6.75,-5.14,;7.84,-6.23,;7.52,-3.81,;.67,-2,;-.67,-2.77,)|
Substrate
Name:
MTIP
Synonyms:
PFL2225w
Type:
Substrate
Mol. Mass.:
23466.36
Organism:
Plasmodium falciparum
Description:
Q8I4W8
Residue:
204
Sequence:
MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEESVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGDNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEAIDALNAFSSEDNIDYKLFCEDILQ