Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCyclin-dependent kinase 1
LigandBDBM50132192
Substrate/Competitorn/a
Meas. Tech.ChEBML_52680
IC50 30±n/a nM
Citation Moravec, JKrystof, VHanus, JHavlícek, LMoravcová, DFuksová, KKuzma, MLenobel, ROtyepka, MStrnad, M 2,6,8,9-tetrasubstituted purines as new CDK1 inhibitors. Bioorg Med Chem Lett13:2993-6 (2003) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cyclin-dependent kinase 1
Name:Cyclin-dependent kinase 1
Synonyms:CDC2 | CDC28A | CDK1 | CDK1_HUMAN | CDKN1 | Cell division control protein 2 homolog | Cell division protein kinase 1 | Cyclin-dependent kinase 1 (CDK1) | P34CDC2 | p34 protein kinase
Type:Enzyme Subunit
Mol. Mass.:34101.08
Organism:Homo sapiens (Human)
Description:P06493
Residue:297
Sequence:
MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRH
PNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCH
SRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSAR
YSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNT
FPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50132192
n/a
NameBDBM50132192
Synonyms:CHEMBL102871 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-chloro-phenyl)-9-isopropyl-9H-purine-2,6-diamine
TypeSmall organic molecule
Emp. Form.C20H26ClN7
Mol. Mass.399.92
SMILESCC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: