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Table 1 DUD-E targets clustered into categories, according to the number of cavities (detected with mkgrid ) with a volume superior to 100Å 3

From: Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis

Nbre cav Targets
8 pa2ga
6 hmdh
5 braf
4 reni prgr pgh2 glcm esr2 dpp4 cxcr4 cp3a4
3 mk01 kpcb kith hivrt esr1 drd3 cp2c9 aofb adrb1 aces pgh1 parp1
2 vgfr2 thrb thb tgfr1 src sahh pyrd pygm pparg ppard ppara nram mcr
  lck jak2 inha gria2 gcr fgfr1 dhi1 bace1 andr ampc adrb2 ace abl1
1 aa2ar ada17 ada akt1 akt2 aldr cah2 casp3 cdk2 comt csf1r def dyr
  egfr fa10 fa7 fabp4 fak1 fkb1a fnta fpps grik1 hdac2 hdac8 hivint hivpr
  hs90a hxk4 igf1r ital kif11 kit lkha4 mapk2 met mk10 mk14 mmp13 mp2k1
  nos1 pde5a plk1 pnph ptn1 pur2 rock1 rxra try1 tryb1 tysy urok wee1 xiap
  1. The targets HIV-RT and ABL1 used for the calibration step are shown in bold. They belong to categories 3 and 2, respectively.