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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
| Ligand | BDBM50003691 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
| IC50 | <0.05±n/a nM | ||
| Citation |  Trova, MP; Barnes, KD; Alicea, L; Benanti, T; Bielaska, M; Bilotta, J; Bliss, B; Duong, TN; Haydar, S; Herr, RJ; Hui, Y; Johnson, M; Lehman, JM; Peace, D; Rainka, M; Snider, P; Salamone, S; Tregay, S; Zheng, X; Friedrich, 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: |
| ||
| 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: |
| ||
| 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: |
| ||
| 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: |
| ||
| BDBM50003691 | |||
| n/a | |||
| Name | BDBM50003691 | ||
| Synonyms: | CHEMBL567624 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H31ClN8S | ||
| Mol. Mass. | 499.075 | ||
| SMILES | Cl.CC(C)n1cnc2c(NCc3cnc(s3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.25,wD:28.29,(.89,-6.67,;1.17,-16.84,;2.19,-15.69,;3.7,-16,;1.7,-14.23,;2.6,-12.98,;1.68,-11.74,;.23,-12.23,;-1.11,-11.47,;-1.11,-9.93,;-2.45,-9.17,;-3.78,-9.95,;-3.94,-11.49,;-5.44,-11.81,;-6.22,-10.48,;-5.2,-9.33,;-7.76,-10.49,;-8.53,-9.15,;-10.07,-9.15,;-10.83,-10.49,;-10.05,-11.83,;-8.52,-11.82,;-2.44,-12.25,;-2.43,-13.79,;-3.76,-14.56,;-3.75,-16.1,;-2.42,-16.86,;-2.42,-18.41,;-3.76,-19.18,;-3.76,-20.72,;-5.09,-18.41,;-5.09,-16.88,;-1.09,-14.55,;.24,-13.77,)| | ||
| Structure | 
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