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Target
Cyclin-A2/Cyclin-dependent kinase 2
Ligand
BDBM11454
Substrate
Histone H1
Meas. Tech.
CDK Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
250±n/a nM
Citation
 Richardson, CM; Williamson, DS; Parratt, MJ; Borgognoni, J; Cansfield, AD; Dokurno, P; Francis, GL; Howes, R; Moore, JD; Murray, JB; Robertson, A; Surgenor, AE; Torrance, CJ Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR. Bioorg Med Chem Lett 16:1353-7 (2006) [PubMed]  Article 
Target
Name:
Cyclin-A2/Cyclin-dependent kinase 2
Synonyms:
CDK2-CyclinA | CDK2/A | CDK2/Cyclin A | CDK2/Cyclin A2 | Cyclin A2/dependent kinase 2 | Cyclin-Dependent Kinase 2 (CDK2) | Cyclin-Dependent Kinase 2 (CDK2A)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
Cdk2/Cyclin A kinase was purified from insect cells coinfected with Cyclin A/Cdk2 baculovirus.
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 2
Synonyms:
CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase
Type:
Enzyme Subunit
Mol. Mass.:
33938.17
Organism:
Homo sapiens (Human)
Description:
P24941
Residue:
298
Sequence:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
  
Component 2
Name:
Cyclin-A2
Synonyms:
CCN1 | CCNA | CCNA1 | CCNA2 | CCNA2_HUMAN | Cyclin A | Cyclin-A
Type:
Enzyme Subunit
Mol. Mass.:
48550.19
Organism:
Homo sapiens (Human)
Description:
P20248
Residue:
432
Sequence:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRGLAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKIEREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHGVSLLNPPETLNL
  
Inhibitor
Name:
BDBM11454
Synonyms:
5-N-(4-aminocyclohexyl)-7-N-(4-methanesulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine | triazolo[1,5-a]pyrimidine 16
Type:
Small organic molecule
Emp. Form.:
C18H23N7O2S
Mol. Mass.:
401.486
SMILES:
CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:13.12,wD:16.16,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Histone H1
Synonyms:
n/a
Type:
Other Protein Type
Mol. Mass.:
358.43
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
3
Sequence:
NA