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TargetCDK2/Cyclin A/Cyclin A1
LigandBDBM50378294
Substrate/Competitorn/a
Meas. Tech.ChEMBL_589414
IC50 0.30±n/a nM
Citation Trova MPBarnes KDAlicea LBenanti TBielaska MBilotta JBliss BDuong TNHaydar SHerr RJHui YJohnson MLehman JMPeace DRainka MSnider PSalamone STregay SZheng XFriedrich TD Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II. Bioorg Med Chem Lett 19:6613-7 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
CDK2/Cyclin A/Cyclin A1
Name:CDK2/Cyclin A/Cyclin A1
Synonyms: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 | Cyclin A | Cyclin-A
Type:Enzyme Subunit
Mol. Mass.:48550.19
Organism:Homo sapiens (Human)
Description:n/a
Residue:432
Sequence:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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Component 2
Name:Cyclin-A1/Cyclin-dependent kinase 4
Synonyms:CDK2/Cyclin A1 | Cyclin-A1
Type:Enzyme
Mol. Mass.:52343.37
Organism:Homo sapiens (Human)
Description:P78396
Residue:465
Sequence:
METGFPAIMYPGSFIGGWGEEYLSWEGPGLPDFVFQQQPVESEAMHCSNPKSGVVLATVA
RGPDACQILTRAPLGQDPPQRTVLGLLTANGQYRRTCGQGITRIRCYSGSENAFPPAGKK
ALPDCGVQEPPKQGFDIYMDELEQGDRDSCSVREGMAFEDVYEVDTGTLKSDLHFLLDFN
TVSPMLVDSSLLSQSEDISSLGTDVINVTEYAEEIYQYLREAEIRHRPKAHYMKKQPDIT
EGMRTILVDWLVEVGEEYKLRAETLYLAVNFLDRFLSCMSVLRGKLQLVGTAAMLLASKY
EEIYPPEVDEFVYITDDTYTKRQLLKMEHLLLKVLAFDLTVPTTNQFLLQYLRRQGVCVR
TENLAKYVAELSLLEADPFLKYLPSLIAAAAFCLANYTVNKHFWPETLAAFTGYSLSEIV
PCLSELHKAYLDIPHRPQQAIREKYKASKYLCVSLMEPPAVLLLQ
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Component 3
Name:Cyclin-dependent kinase 2
Synonyms:CDK2 | CDK2-Kinase | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | p33 protein kinase
Type:Enzyme Subunit
Mol. Mass.:33938.17
Organism:Homo sapiens (Human)
Description:P24941
Residue:298
Sequence:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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Component 4
Name:Cyclin-A2
Synonyms:CCN1 | CCNA | CCNA1 | Cyclin A | Cyclin-A
Type:Enzyme Subunit
Mol. Mass.:48550.19
Organism:Homo sapiens (Human)
Description:n/a
Residue:432
Sequence:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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BDBM50378294
n/a
NameBDBM50378294
Synonyms:CHEMBL566972
TypeSmall organic molecule
Emp. Form.C26H32N8
Mol. Mass.456.5859
SMILESCC(C)n1cnc2c(NCc3ccc(cc3)-c3cccnc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(.84,-15.51,;1.87,-14.36,;3.37,-14.67,;1.38,-12.9,;2.27,-11.65,;1.36,-10.41,;-.1,-10.9,;-1.43,-10.14,;-1.44,-8.6,;-2.78,-7.84,;-4.11,-8.62,;-4.1,-10.16,;-5.43,-10.93,;-6.77,-10.16,;-6.78,-8.63,;-5.45,-7.85,;-8.1,-10.94,;-8.09,-12.49,;-9.43,-13.26,;-10.76,-12.49,;-10.76,-10.94,;-9.43,-10.17,;-2.77,-10.92,;-2.76,-12.46,;-4.09,-13.23,;-4.08,-14.77,;-2.75,-15.53,;-2.75,-17.08,;-4.08,-17.85,;-4.08,-19.39,;-5.42,-17.08,;-5.42,-15.55,;-1.42,-13.22,;-.09,-12.44,)|
Structure
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