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Target
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
Ligand
BDBM50378219
Substrate
n/a
Meas. Tech.
ChEMBL_588944 (CHEMBL1063859)
IC50
500±n/a nM
Citation
 Trova, MP; Barnes, KD; Barford, C; Benanti, T; Bielaska, M; Burry, L; Lehman, JM; Murphy, C; O'Grady, H; Peace, D; Salamone, S; Smith, J; Snider, P; Toporowski, J; Tregay, S; Wilson, A; Wyle, M; Zheng, X; Friedrich, TD Biaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part I. Bioorg Med Chem Lett 19:6608-12 (2009) [PubMed]  Article 
Target
Name:
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
Synonyms:
CDK2/Cyclin A/Cyclin A1 | Cyclin A1/A2/dependent kinase 2 | Cyclin-dependent kinase 2/cyclin A
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 42813
Components:
This complex has 3 components.
Component 1
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
  
Component 2
Name:
Cyclin-A1
Synonyms:
CCNA1 | CCNA1_HUMAN | CDK2/Cyclin A1 | Cyclin-A1 | Cyclin-A1/Cyclin-dependent kinase 4
Type:
Enzyme
Mol. Mass.:
52343.37
Organism:
Homo sapiens (Human)
Description:
P78396
Residue:
465
Sequence:
METGFPAIMYPGSFIGGWGEEYLSWEGPGLPDFVFQQQPVESEAMHCSNPKSGVVLATVARGPDACQILTRAPLGQDPPQRTVLGLLTANGQYRRTCGQGITRIRCYSGSENAFPPAGKKALPDCGVQEPPKQGFDIYMDELEQGDRDSCSVREGMAFEDVYEVDTGTLKSDLHFLLDFNTVSPMLVDSSLLSQSEDISSLGTDVINVTEYAEEIYQYLREAEIRHRPKAHYMKKQPDITEGMRTILVDWLVEVGEEYKLRAETLYLAVNFLDRFLSCMSVLRGKLQLVGTAAMLLASKYEEIYPPEVDEFVYITDDTYTKRQLLKMEHLLLKVLAFDLTVPTTNQFLLQYLRRQGVCVRTENLAKYVAELSLLEADPFLKYLPSLIAAAAFCLANYTVNKHFWPETLAAFTGYSLSEIVPCLSELHKAYLDIPHRPQQAIREKYKASKYLCVSLMEPPAVLLLQ
  
Component 3
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 4
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:
BDBM50378219
Synonyms:
CHEMBL572943
Type:
Small organic molecule
Emp. Form.:
C29H37N7
Mol. Mass.:
483.651
SMILES:
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)c(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:30.32,(19.5,-13.9,;17.96,-13.92,;17.21,-15.27,;17.17,-12.6,;18.06,-11.35,;17.15,-10.12,;15.69,-10.61,;14.36,-9.85,;14.35,-8.31,;13.01,-7.55,;11.68,-8.32,;11.69,-9.87,;10.35,-10.65,;9.02,-9.87,;9.02,-8.33,;10.35,-7.56,;7.69,-10.64,;7.69,-12.18,;6.36,-12.95,;5.02,-12.18,;3.68,-12.95,;5.02,-10.64,;3.69,-9.87,;6.35,-9.87,;13.03,-10.62,;13.03,-12.16,;11.7,-12.94,;11.71,-14.48,;13.05,-15.24,;13.05,-16.79,;11.71,-17.56,;11.71,-19.1,;10.38,-16.79,;10.38,-15.25,;14.37,-12.93,;15.71,-12.14,)|
Structure:
Search PDB for entries with ligand similarity: