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TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
LigandBDBM7533
Substrate/Competitorn/a
Meas. Tech.ChEMBL_589414 (CHEMBL1058435)
IC50 4.6±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 Lett19:6613-7 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
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:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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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:
METGFPAIMYPGSFIGGWGEEYLSWEGPGLPDFVFQQQPVESEAMHCSNPKSGVVLATVA
RGPDACQILTRAPLGQDPPQRTVLGLLTANGQYRRTCGQGITRIRCYSGSENAFPPAGKK
ALPDCGVQEPPKQGFDIYMDELEQGDRDSCSVREGMAFEDVYEVDTGTLKSDLHFLLDFN
TVSPMLVDSSLLSQSEDISSLGTDVINVTEYAEEIYQYLREAEIRHRPKAHYMKKQPDIT
EGMRTILVDWLVEVGEEYKLRAETLYLAVNFLDRFLSCMSVLRGKLQLVGTAAMLLASKY
EEIYPPEVDEFVYITDDTYTKRQLLKMEHLLLKVLAFDLTVPTTNQFLLQYLRRQGVCVR
TENLAKYVAELSLLEADPFLKYLPSLIAAAAFCLANYTVNKHFWPETLAAFTGYSLSEIV
PCLSELHKAYLDIPHRPQQAIREKYKASKYLCVSLMEPPAVLLLQ
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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:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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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:
MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAALAVLKSGNPRG
LAQQQRPKTRRVAPLKDLPVNDEHVTVPPWKANSKQPAFTIHVDEAEKEAQKKPAESQKI
EREDALAFNSAISLPGPRKPLVPLDYPMDGSFESPHTMDMSIILEDEKPVSVNEVPDYHE
DIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYID
RFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLK
VLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAF
HLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHG
VSLLNPPETLNL
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BDBM7533
n/a
NameBDBM7533
Synonyms:(2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol | (2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol | (2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol | (2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol | (R)-Roscovitine | 2,6,9-Trisubstituted purine deriv. 28 | CHEMBL14762 | CYC-202 | Roscovitine | cid_160355
TypeSmall organic molecule
Emp. Form.C19H26N6O
Mol. Mass.354.4493
SMILESCC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: