Reaction Details Report a problem with these data
Target
Calcium-dependent protein kinase 1
Ligand
BDBM36337
Substrate
MTIP
Meas. Tech.
Scintillation Proximity Assay
pH
7.5±0
Temperature
297.15±0 K
IC50
4040±0.0 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 
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:
BDBM36337
Synonyms:
CID24762167 | {4-[2-trans-(4-Amino-cyclohexylamino)-9-(3-benzyloxy-phenyl)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone, 5
Type:
Small organic molecule
Emp. Form.:
C36H40N8O2
Mol. Mass.:
616.7552
SMILES:
NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(OCc4ccccc4)c3)c2n1 |(7.08,8.91,;7.08,7.37,;8.41,6.6,;8.41,5.06,;7.08,4.29,;5.75,5.06,;5.75,6.6,;7.08,2.75,;8.41,1.98,;8.41,.44,;9.75,-.33,;9.75,-1.87,;8.41,-2.64,;8.41,-4.18,;7.08,-4.95,;5.75,-4.18,;5.75,-2.64,;7.08,-1.87,;4.41,-4.95,;3.08,-4.18,;4.41,-6.49,;3.08,-7.26,;3.08,-8.8,;4.41,-9.57,;5.75,-8.8,;5.75,-7.26,;11.08,.44,;12.54,-.03,;13.44,1.21,;12.54,2.45,;13.02,3.91,;11.99,5.06,;12.47,6.52,;13.97,6.84,;15,5.69,;16.51,6.01,;16.99,7.47,;18.5,7.79,;18.97,9.25,;20.48,9.57,;21.51,8.43,;21.03,6.96,;19.52,6.64,;14.52,4.23,;11.08,1.98,;9.75,2.75,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
MTIP
Synonyms:
PFL2225w
Type:
Substrate
Mol. Mass.:
23466.36
Organism:
Plasmodium falciparum
Description:
Q8I4W8
Residue:
204
Sequence:
MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEESVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGDNLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEAIDALNAFSSEDNIDYKLFCEDILQ