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Table 1 Binding affinity and predicted binding pocket of docked compounds

From: Structure-based and ligand-based virtual screening of novel methyltransferase inhibitors of the dengue virus

Compound ID Virtual screening Binding pocket Binding affinity (kcal/mol)
SPH1-103-799 EDULISS RNA cap -7.8
SPH1-101-102 EDULISS RNA cap -7.8
SPH1-027-074 EDULISS RNA cap -7.7
SPH1-014-180 EDULISS RNA cap -7.6
SPH1-047-692 EDULISS RNA cap -7.6
SPH1-000-259 EDULISS RNA cap -7.6
SPH1-013-274 EDULISS RNA cap -7.5
SPH1-013-272 EDULISS RNA cap -7.5
SPH1-013-273 EDULISS RNA cap -7.5
SPH1-013-271 EDULISS RNA cap -7.5
28SPH1-115-917 LIDAEUS RNA cap -7.9
35SPH1-021-288 LIDAEUS RNA cap -7.8
28SPH1-185-015 LIDAEUS RNA cap -7.8
28SPH1-149-718 LIDAEUS RNA cap -7.6
28SPH1-026-800 LIDAEUS RNA cap -7.6
28SPH1-024-902 LIDAEUS RNA cap -7.5
28SPH1-081-432 LIDAEUS RNA cap -7.5
29SPH1-063-033 LIDAEUS RNA cap -7.3
28SPH1-024-902 LIDAEUS RNA cap -7.3
28SPH1-348-781 LIDAEUS RNA cap -7.3
SPH1-007-088 EDULISS SAM -11.4
SPH1-111-460 EDULISS SAM -11.4
SPH1-177-492 EDULISS SAM -11.0
SPH1-020-782 EDULISS SAM -10.6
SPH1-016-182 EDULISS SAM -10.5
SPH1-159-983 EDULISS SAM -10.5
SPH1-129-393 EDULISS SAM -10.4
SPH1-031-492 EDULISS SAM -10.3
SPH1-107-521 EDULISS SAM -10.3
SPH1-297-578 EDULISS SAM -10.3
25SPH1-103-433 LIDAEUS SAM -10.0
25SPH1-103-428 LIDAEUS SAM -9.9
42SPH1-001-864 LIDAEUS SAM -9.8
25SPH1-103-428 LIDAEUS SAM -9.8
42SPH1-001-481 LIDAEUS SAM -9.5
42SPH1-001-925 LIDAEUS SAM -9.5
25SPH1-108-370 LIDAEUS SAM -9.3
42SPH1-013-393 LIDAEUS SAM -9.2
25SPH1-102-225 LIDAEUS SAM -9.1
25SPH1-102-901 LIDAEUS SAM -8.2