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. Author manuscript; available in PMC: 2017 Jun 24.
Published in final edited form as: J Chem Inf Model. 2016 May 24;56(6):1139–1151. doi: 10.1021/acs.jcim.5b00709

Table 2.

Kinase Targets in DUD-E

DUD-E Symbol Name PDB Family Total Ligands Clustered Ligands Experimental Decoys Matched Decoys Resolution (Å)
AKT1 AKT1 RAC-alpha serine/threonine-protein kinase 3CQW AGC 585 293 53 16450 2.00
AKT2 AKT2 RAC-beta serine/threonine-protein kinase 3D0E AGC 234 117 23 6900 2.00
KPCB PRKCB Protein kinase C beta type 2I0E AGC 331 135 153 8700 2.60
ROCK1 ROCK1 Rho-associated protein kinase 1 2ETR AGC 216 100 15 6300 2.60
MAPK2 MAPKAPK2 MAP kinase-activated protein kinase 2 3M2W CAMK 184 101 81 6150 2.41
CDK2 CDK2 Cyclin-dependent kinase 2 1H00 CMGC 1310 474 136 27850 1.60
MK01 MAPK1 Mitogen-activated protein kinase 1 2OJG CMGC 79 79 35 4550 2.00
MK10 MAPK10 Mitogen-activated protein kinase 10 2ZDT CMGC 199 104 23 6600 2.00
MK14 MAPK14 Mitogen-activated protein kinase 14 2QD9 CMGC 2205 578 73 35850 1.70
MP2K1 MAP2K1 Dual specificity mitogen-activated protein kinase kinase 1 3EQH STE 308 121 12 8150 2.00
BRAF BRAF Serine/threonine-protein kinase B-raf 3D4Q TKL 317 152 28 9950 2.80
TGFR1 TGFBR1 TGF-beta receptor type-1 3HMM TKL 235 133 7 8500 1.70
ABL1 ABL1 Tyrosine-protein kinase ABL1 2HZI Tyr 409 182 84 10750 1.70
CSF1R CSF1R Macrophage colony-stimulating factor 1 receptor 3KRJ Tyr 385 166 5 12150 2.10
EGFR EGFR Epidermal growth factor receptor 2RGP Tyr 1612 542 407 35050 2.00
FAK1 PTK2 Focal adhesion kinase 1 3BZ3 Tyr 101 100 11 5350 2.20
FGFR1 FGFR1 Fibroblast growth factor receptor 1 3C4F Tyr 327 139 146 8700 2.07
SRC SRC Proto-oncogene tyrosine-protein kinase Src 3EL8 Tyr 1269 524 287 34500 2.30
VGFR2 KDR Vascular endothelial growth factor receptor 2 2P2I Tyr 2320 409 142 24950 2.40
IGF1R IGF1R Insulin-like growth factor 1 receptor 2OJ9 Tyr 370 148 75 9300 2.00
JAK2 JAK2 Tyrosine-protein kinase JAK2 3LPB Tyr 246 130 6 6500 2.00
KIT KIT Mast/stem cell growth factor receptor Kit 3G0E Tyr 378 166 8 10450 1.60
LCK LCK Tyrosine-protein kinase Lck 2OF2 Tyr 916 420 148 27400 2.00
MET MET Hepatocyte growth factor receptor 3LQ8 Tyr 333 166 17 11250 2.02
PLK1 PLK1 Serine/threonine-protein kinase PLK1 2OWB Other 227 107 46 6800 2.10
WEE1 WEE1 Wee1-like protein kinase 3BIZ Other 221 102 15 6150 2.20