2C3L

Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification

Summary for 2C3L

Entry DOI	10.2210/pdb2c3l/pdb
Related	1IA8 1NVQ 1NVR 1NVS 2BR1 2BRB 2BRG 2BRH 2BRM 2BRN 2BRO 2C3J 2C3K
Descriptor	SERINE/THREONINE-PROTEIN KINASE CHK1, 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE, SULFATE ION, ... (4 entities in total)
Functional Keywords	drug design, molecular modeling, molecular recognition, oncology, atp-binding, cell cycle, dna damage, dna repair, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase, ubl conjugation
Biological source	HOMO SAPIENS (HUMAN)
Total number of polymer chains	1
Total formula weight	34478.47
Authors	Foloppe, N.,Fisher, L.M.,Francis, G.,Howes, R.,Kierstan, P.,Potter, A. (deposition date: 2005-10-10, release date: 2005-11-23, Last modification date: 2023-12-13)
Primary citation	Foloppe, N.,Fisher, L.M.,Francis, G.,Howes, R.,Kierstan, P.,Potter, A. Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification. Bioorg.Med.Chem., 14:1792-, 2006 Cited by PubMed: 16289938 DOI: 10.1016/J.BMC.2005.10.022 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation