Reaction Details | |||
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Target | Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 | ||
Ligand | BDBM50378311 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_589414 (CHEMBL1058435) | ||
IC50 | 0.60±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: |
| ||
BDBM50378311 | |||
n/a | |||
Name | BDBM50378311 | ||
Synonyms: | CHEMBL568301 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H33N7S | ||
Mol. Mass. | 475.652 | ||
SMILES | CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.18,-42.63,;31.2,-41.48,;32.71,-41.79,;30.72,-40.02,;31.61,-38.77,;30.7,-37.53,;29.24,-38.02,;27.9,-37.26,;27.9,-35.72,;26.56,-34.96,;25.23,-35.74,;25.23,-37.28,;23.9,-38.05,;22.57,-37.28,;22.56,-35.75,;23.88,-34.97,;21.24,-38.06,;21.08,-39.6,;19.58,-39.92,;18.8,-38.59,;17.27,-38.44,;19.83,-37.44,;26.57,-38.04,;26.58,-39.58,;25.25,-40.35,;25.26,-41.89,;26.59,-42.65,;26.59,-44.2,;25.25,-44.97,;25.26,-46.51,;23.92,-44.2,;23.92,-42.67,;27.92,-40.34,;29.25,-39.56,)| | ||
Structure |