2CGU
Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening
Summary for 2CGU
Entry DOI | 10.2210/pdb2cgu/pdb |
Related | 1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3K 2C3L 2CGV 2CGW 2CGX |
Descriptor | SERINE/THREONINE-PROTEIN KINASE CHK1, 2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID (3 entities in total) |
Functional Keywords | transferase, docking, drug design, oncology, virtual screening, atp- binding, cell cycle, dna damage, dna repair, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, ubl conjugation |
Biological source | HOMO SAPIENS (HUMAN) |
Total number of polymer chains | 1 |
Total formula weight | 34491.44 |
Authors | Foloppe, N.,Fisher, L.M.,Howes, R.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. (deposition date: 2006-03-09, release date: 2006-04-05, Last modification date: 2023-12-13) |
Primary citation | Foloppe, N.,Fisher, L.M.,Howes, R.,Potter, A.,Robertson, A.G.S.,Surgenor, A.E. Identification of Chemically Diverse Chk1 Inhibitors by Receptor-Based Virtual Screening. Bioorg.Med.Chem., 14:4792-, 2006 Cited by PubMed: 16574416DOI: 10.1016/J.BMC.2006.03.021 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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