2CGX
Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening
Summary for 2CGX
| Entry DOI | 10.2210/pdb2cgx/pdb |
| Related | 1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3K 2C3L 2CGU 2CGV 2CGW |
| Descriptor | SERINE/THREONINE-PROTEIN KINASE CHK1, 2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE (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 | 34372.39 |
| 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 (2.2 Å) |
Structure validation
Download full validation report
