2CGV

Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening

Summary for 2CGV

Entry DOI	10.2210/pdb2cgv/pdb
Related	1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3K 2C3L 2CGU 2CGW 2CGX
Descriptor	SERINE/THREONINE-PROTEIN KINASE CHK1, (2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL (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	34410.41
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: 16574416 DOI: 10.1016/J.BMC.2006.03.021 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation