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Target
Cyclin-dependent kinase 1
Ligand
BDBM50073794
Substrate
n/a
Meas. Tech.
ChEBML_50317
IC50
39±n/a nM
Citation
 Imbach, P; Capraro, HG; Furet, P; Mett, H; Meyer, T; Zimmermann, J 2,6,9-trisubstituted purines: optimization towards highly potent and selective CDK1 inhibitors. Bioorg Med Chem Lett 9:91-6 (1999) [PubMed]  Article 
Target
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:
MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRHPNIVSLQDVLMQDSRLYLIFEFLSMDLKKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRVYTHEVVTLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNTFPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFNDLDNQIKKM
  
Inhibitor
Name:
BDBM50073794
Synonyms:
CHEMBL367691 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-chloro-phenyl)-9-ethyl-9H-purine-2,6-diamine
Type:
Small organic molecule
Emp. Form.:
C19H24ClN7
Mol. Mass.:
385.894
SMILES:
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
Structure:
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