Reaction Details Report a problem with these data
Target
Calcium-dependent protein kinase 1
Ligand
BDBM36342
Substrate
MTIP
Meas. Tech.
Parasite Proliferation Assay
pH
7.5±0
Temperature
297.15±0 K
EC50
596±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:
BDBM36342
Synonyms:
CID24762172 | {4-[2-trans-(4-Amino-cyclohexylamino)-9-(4-tert-butyl-phenyl)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone, 10
Type:
Small organic molecule
Emp. Form.:
C33H42N8O
Mol. Mass.:
566.7396
SMILES:
CC(C)(C)c1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:33.35,wD:36.39,(6.54,-5.71,;5.21,-6.47,;5.98,-7.8,;3.88,-7.24,;4.44,-5.14,;2.9,-5.14,;2.13,-3.81,;2.9,-2.47,;4.44,-2.47,;5.21,-3.81,;2.13,-1.14,;3.04,.11,;2.13,1.35,;.67,.88,;-.67,1.65,;-.66,3.18,;.67,3.96,;2,3.19,;3.33,3.96,;3.33,5.5,;2,6.27,;.67,5.5,;4.67,6.27,;4.67,7.8,;6.01,5.49,;6,3.96,;7.33,3.19,;8.67,3.96,;8.67,5.5,;7.33,6.27,;-2,.87,;-2,-.66,;-3.33,-1.44,;-4.67,-.66,;-6,-1.43,;-7.34,-.66,;-7.34,.88,;-8.67,1.64,;-6,1.65,;-4.67,.88,;-.66,-1.44,;.67,-.66,)|
Substrate
Name:
MTIP
Synonyms:
PFL2225w
Type:
Substrate
Mol. Mass.:
23466.36
Organism:
Plasmodium falciparum
Description:
Q8I4W8
Residue:
204
Sequence:
MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEESVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGDNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEAIDALNAFSSEDNIDYKLFCEDILQ