| Reaction Details |
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 | Report a problem with these data |
| Target | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
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| Ligand | BDBM576889 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | CDK2/Cyclin E1 HERE Enzyme Activity Assay |
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| IC50 | <50±n/a nM |
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| Citation |  Hummel, J; Li, J; Li, Z; Qian, D; Wu, L; Xiao, K; Xu, M; Yang, JC; Yao, W; Zhang, F; Ye, M; Chen, Y; Favata, M; Lo, Y Pyrazolyl pyrimidinylamine compounds as CDK2 inhibitors US Patent US11472791 Publication Date 10/18/2022 |
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| More Info.: | Get all data from this article, Assay Method |
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| Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
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| Name: | Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 |
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| Synonyms: | CDK2/CycE | CDK2/Cyclin E | CDK2/E | CDK2/E1 | Cyclin-Dependent Kinase 2 (CDK2) | Cyclin-dependent kinase 2/G1/S-specific cyclin E1 | Cyclin-dependent kinase 2/cyclin E1 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Cyclin-dependent kinase 2 |
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| 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 |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 33938.17 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P24941 |
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| Residue: | 298 |
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| Sequence: | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
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| Component 2 |
| Name: | G1/S-specific cyclin-E1 |
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| Synonyms: | CCNE | CCNE1 | CCNE1_HUMAN |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 47073.17 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 410 |
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| Sequence: | MPRERRERDAKERDTMKEDGGAEFSARSRKRKANVTVFLQDPDEEMAKIDRTARDQCGSQ
PWDNNAVCADPCSLIPTPDKEDDDRVYPNSTCKPRIIAPSRGSPLPVLSWANREEVWKIM
LNKEKTYLRDQHFLEQHPLLQPKMRAILLDWLMEVCEVYKLHRETFYLAQDFFDRYMATQ
ENVVKTLLQLIGISSLFIAAKLEEIYPPKLHQFAYVTDGACSGDEILTMELMIMKALKWR
LSPLTIVSWLNVYMQVAYLNDLHEVLLPQYPQQIFIQIAELLDLCVLDVDCLEFPYGILA
ASALYHFSSSELMQKVSGYQWCDIENCVKWMVPFAMVIRETGSSKLKHFRGVADEDAHNI
QTHRDSLDLLDKARAKKAMLSEQNRASPLPSGLLTPPQSGKKQSSGPEMA
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| BDBM576889 |
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| n/a |
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| Name | BDBM576889 |
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| Synonyms: | 1-(4-(2-(((3R,4S)-3- Fluoro-1-((3-((1S,4S)-5- methyl-2,5- diazabicyclo[2.2.1]heptan- 2- yl)propyl)sulfonyl)piperidin- 4-yl)amino)-5- (trifluoromethyl)pyrimidin- 4-yl)-1H-pyrazol-1-yl)- 2-methylpropan-2-ol | US11472791, Example 211 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H38F4N8O3S |
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| Mol. Mass. | 618.69 |
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| SMILES | CN1C[C@@H]2C[C@H]1CN2CCCS(=O)(=O)N1CC[C@H](Nc2ncc(c(n2)-c2cnn(CC(C)(C)O)c2)C(F)(F)F)[C@H](F)C1 |r| |
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| Structure | 
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