Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity

Summary for 2W1H

Related1H08 1PYE 2VTH 1V1K 2B53 1H25 1OKV 1KE7 1PXK 2BHH 2VTA 2UUE 1GZ8 1E1V 1OL2 1H27 1JSV 2B52 1KE5 1FIN 2C5O 2C68 1P2A 2VTT 2VTQ 2C4G 1W0X 1H1Q 2W05 1PXO 1KE9 1HCK 2A0C 1JSU 1PXN 2UZE 2VTM 2V0D 1OIQ 1H1R 2IW8 1GIH 1HCL 1PW2 2W06 2VTN 1JST 1OIU 1PXM 1B38 1FQ1 1VYW 1H1P 2C69 1URC 1PXI 2C6I 1YKR 2W17 2UZD 2C5Y 2C6K 1WCC 2J9M 1VYZ 2VTI 1JVP 1W98 1PKD 1P5E 2VTS 2C5P 2UZN 2B54 1KE6 1PXJ 2UZL 2CCI 2BKZ 2G9X 1Y91 2IW6 1GIJ 1R78 1H0V 2IW9 1W8C 1BUH 2BPM 2BTS 1FVV 1OKW 2A4L 2VTP 2C6T 1FVT 1QMZ 2VU3 2B55 1OGU 1PF8 1H1S 2JGZ 2C5V 2BHE 1URW 1OIY 2C6L 1F5Q 2C6O 2VTL 1OL1 1H01 2UZB 1OIR 1OI9 2VTJ 2CJM 2C5N 2C5X 2C6M 1OIT 2V22 1GY3 1GII 1DI8 2VV9 1E9H 2VTO 1DM2 2UZO 1H24 1H00 2EXM 2CLX 1PXP 2CCH 2BTR 1B39 1AQ1 1H0W 1G5S 1CKP 1KE8 1PXL 1H28 1H26 2VTR 1E1X 1H07 1Y8Y
Functional Keywordsstructure based drug design, kinase, mitosis, cell cycle, transferase, serine/threonine-protein kinase, atp-binding, polymorphism, cell division, phosphoprotein, fragment screening, nucleotide-binding
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, centrosome P24941
Total number of polymer chains1
Total molecular weight34279.81
Primary citation
Howard, S.,Berdini, V.,Boulstridge, J.A.,Carr, M.G.,Cross, D.M.,Curry, J.,Devine, L.A.,Early, T.R.,Fazal, L.,Gill, A.L.,Heathcote, M.,Maman, S.,Matthews, J.E.,Mcmenamin, R.L.,Navarro, E.F.,O'Brien, M.A.,O'Reilly, M.,Rees, D.C.,Reule, M.,Tisi, D.,Williams, G.,Vinkovic, M.,Wyatt, P.G.
Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52:379-, 2009
PubMed: 19143567 (PDB entries with the same primary citation)
DOI: 10.1021/JM800984V
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliers0.376570.4%7.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report