4BI0

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

Summary for 4BI0

Entry DOI	10.2210/pdb4bi0/pdb
Related	4BHZ 4BI1 4BI2
Descriptor	DUAL SPECIFICITY PROTEIN KINASE TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 5H-pyrimido[5,4-b]indole, ... (5 entities in total)
Functional Keywords	transferase, protein kinase, mitosis
Biological source	HOMO SAPIENS (HUMAN)
Total number of polymer chains	1
Total formula weight	36967.28
Authors	Langdon, S.R.,Westwood, I.M.,van Montfort, R.L.M.,Brown, N.,Blagg, J. (deposition date: 2013-04-09, release date: 2013-05-22, Last modification date: 2023-12-20)
Primary citation	Langdon, S.R.,Westwood, I.M.,Van Montfort, R.L.M.,Brown, N.,Blagg, J. Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors. J.Chem.Inf.Model, 53:1100-, 2013 Cited by PubMed: 23672464 DOI: 10.1021/CI400100C PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.84 Å)

Structure validation