Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design

Summary for 2VTR

Related1PYE 1H08 2B53 1V1K 1OKV 1KE7 1H25 1PXK 2BHH 2VTA 2UUE 1E1V 1GZ8 1OL2 1H27 1JSV 2B52 1KE5 1FIN 2C5O 2C68 1P2A 2C4G 1W0X 1H1Q 1PXO 1KE9 2A0C 1HCK 1JSU 1PXN 2UZE 2V0D 1OIQ 1H1R 2IW8 1HCL 1GIH 1PW2 1JST 1OIU 1PXM 1B38 1FQ1 1VYW 1H1P 2C69 1URC 1PXI 2C6I 1YKR 2C6K 2UZD 2C5Y 1WCC 2J9M 1VYZ 1JVP 1W98 1PKD 1P5E 2C5P 2UZN 2B54 1KE6 1PXJ 2UZL 2CCI 2BKZ 2G9X 1Y91 2IW6 1GIJ 1R78 1H0V 2IW9 1W8C 1BUH 2BPM 2BTS 1FVV 1OKW 2A4L 2C6T 1FVT 1QMZ 1OGU 2B55 1PF8 1H1S 2C5V 2JGZ 2BHE 1URW 1OIY 2C6L 1F5Q 2C6O 1OL1 2UZB 1H01 1OIR 1OI9 2CJM 2C5N 2C5X 2C6M 1OIT 2V22 1GY3 1GII 1DI8 1E9H 1DM2 2UZO 1H24 1H00 2EXM 2CLX 1PXP 2CCH 1B39 2BTR 1AQ1 1H0W 1G5S 1CKP 1PXL 1KE8 1H28 1H26 1H07 1E1X 1Y8Y 2VTM 2VTJ 2VTL 2VTN 2VTO 2VTP 2VTH 2VTS 2VTT 2VTI 2VTQ
DescriptorCELL DIVISION PROTEIN KINASE 2, 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (3 entities in total)
Functional Keywordstransferase, mitosis, cell cycle, serine/threonine protein kinase
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight34212.16
Primary citation
Wyatt, P.G.,Woodhead, A.J.,Berdini, V.,Boulstridge, J.A.,Carr, M.G.,Cross, D.M.,Davis, D.J.,Devine, L.A.,Early, T.R.,Feltell, R.E.,Lewis, E.J.,Mcmenamin, R.L.,Navarro, E.F.,O'Brien, M.A.,O'Reilly, M.,Reule, M.,Saxty, G.,Seavers, L.C.A.,Smith, D.,Squires, M.S.,Trewartha, G.,Walker, M.T.,Woolford, A.J.
Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51:4986-, 2008
PubMed: 18656911 (PDB entries with the same primary citation)
DOI: 10.1021/JM800382H
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2712207.8%11.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report