Reaction Details |
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Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 |
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Ligand | BDBM50425001 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_936300 (CHEMBL2320998) |
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Ki | 80±n/a nM |
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Citation | Hole, AJ; Baumli, S; Shao, H; Shi, S; Huang, S; Pepper, C; Fischer, PM; Wang, S; Endicott, JA; Noble, ME Comparative structural and functional studies of 4-(thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 inhibitors suggest the basis for isotype selectivity. J Med Chem56:660-70 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 |
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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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BDBM50425001 |
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n/a |
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Name | BDBM50425001 |
Synonyms: | CHEMBL2312194 |
Type | Small organic molecule |
Emp. Form. | C24H28N6O |
Mol. Mass. | 416.5187 |
SMILES | CC[C@@H](CO)Nc1nc(Cc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| |
Structure |
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