complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
3L63-CAM | data/3L/3L63-CAM/3L63-CAM_ligand.pdbqt | data/3L/3L63-CAM/3L63-CAM_target.pdbqt | data/3L/3L63-CAM/3L63-CAM_decoys.pdbqt | data/3L/3L63-CAM/3L63-CAM_decoy_scores.csv |
3L9V-P6G | data/3L/3L9V-P6G/3L9V-P6G_ligand.pdbqt | data/3L/3L9V-P6G/3L9V-P6G_target.pdbqt | data/3L/3L9V-P6G/3L9V-P6G_decoys.pdbqt | data/3L/3L9V-P6G/3L9V-P6G_decoy_scores.csv |
3LXL-IZA | data/3L/3LXL-IZA/3LXL-IZA_ligand.pdbqt | data/3L/3LXL-IZA/3LXL-IZA_target.pdbqt | data/3L/3LXL-IZA/3LXL-IZA_decoys.pdbqt | data/3L/3LXL-IZA/3LXL-IZA_decoy_scores.csv |
3LC3-IYX | data/3L/3LC3-IYX/3LC3-IYX_ligand.pdbqt | data/3L/3LC3-IYX/3LC3-IYX_target.pdbqt | data/3L/3LC3-IYX/3LC3-IYX_decoys.pdbqt | data/3L/3LC3-IYX/3LC3-IYX_decoy_scores.csv |
3LUD-AMP | data/3L/3LUD-AMP/3LUD-AMP_ligand.pdbqt | data/3L/3LUD-AMP/3LUD-AMP_target.pdbqt | data/3L/3LUD-AMP/3LUD-AMP_decoys.pdbqt | data/3L/3LUD-AMP/3LUD-AMP_decoy_scores.csv |
3L0E-G58 | data/3L/3L0E-G58/3L0E-G58_ligand.pdbqt | data/3L/3L0E-G58/3L0E-G58_target.pdbqt | data/3L/3L0E-G58/3L0E-G58_decoys.pdbqt | data/3L/3L0E-G58/3L0E-G58_decoy_scores.csv |
3LEO-PLM | data/3L/3LEO-PLM/3LEO-PLM_ligand.pdbqt | data/3L/3LEO-PLM/3LEO-PLM_target.pdbqt | data/3L/3LEO-PLM/3LEO-PLM_decoys.pdbqt | data/3L/3LEO-PLM/3LEO-PLM_decoy_scores.csv |
3LEO-LMT | data/3L/3LEO-LMT/3LEO-LMT_ligand.pdbqt | data/3L/3LEO-LMT/3LEO-LMT_target.pdbqt | data/3L/3LEO-LMT/3LEO-LMT_decoys.pdbqt | data/3L/3LEO-LMT/3LEO-LMT_decoy_scores.csv |
3L8W-XAN | data/3L/3L8W-XAN/3L8W-XAN_ligand.pdbqt | data/3L/3L8W-XAN/3L8W-XAN_target.pdbqt | data/3L/3L8W-XAN/3L8W-XAN_decoys.pdbqt | data/3L/3L8W-XAN/3L8W-XAN_decoy_scores.csv |
3LM4-HPX | data/3L/3LM4-HPX/3LM4-HPX_ligand.pdbqt | data/3L/3LM4-HPX/3LM4-HPX_target.pdbqt | data/3L/3LM4-HPX/3LM4-HPX_decoys.pdbqt | data/3L/3LM4-HPX/3LM4-HPX_decoy_scores.csv |
3L8P-0CE | data/3L/3L8P-0CE/3L8P-0CE_ligand.pdbqt | data/3L/3L8P-0CE/3L8P-0CE_target.pdbqt | data/3L/3L8P-0CE/3L8P-0CE_decoys.pdbqt | data/3L/3L8P-0CE/3L8P-0CE_decoy_scores.csv |
3LT5-BLQ | data/3L/3LT5-BLQ/3LT5-BLQ_ligand.pdbqt | data/3L/3LT5-BLQ/3LT5-BLQ_target.pdbqt | data/3L/3LT5-BLQ/3LT5-BLQ_decoys.pdbqt | data/3L/3LT5-BLQ/3LT5-BLQ_decoy_scores.csv |
3LT2-FT3 | data/3L/3LT2-FT3/3LT2-FT3_ligand.pdbqt | data/3L/3LT2-FT3/3LT2-FT3_target.pdbqt | data/3L/3LT2-FT3/3LT2-FT3_decoys.pdbqt | data/3L/3LT2-FT3/3LT2-FT3_decoy_scores.csv |
3L85-8OG | data/3L/3L85-8OG/3L85-8OG_ligand.pdbqt | data/3L/3L85-8OG/3L85-8OG_target.pdbqt | data/3L/3L85-8OG/3L85-8OG_decoys.pdbqt | data/3L/3L85-8OG/3L85-8OG_decoy_scores.csv |
3LMH-ADP | data/3L/3LMH-ADP/3LMH-ADP_ligand.pdbqt | data/3L/3LMH-ADP/3LMH-ADP_target.pdbqt | data/3L/3LMH-ADP/3LMH-ADP_decoys.pdbqt | data/3L/3LMH-ADP/3LMH-ADP_decoy_scores.csv |
3LJT-LA3 | data/3L/3LJT-LA3/3LJT-LA3_ligand.pdbqt | data/3L/3LJT-LA3/3LJT-LA3_target.pdbqt | data/3L/3LJT-LA3/3LJT-LA3_decoys.pdbqt | data/3L/3LJT-LA3/3LJT-LA3_decoy_scores.csv |
3LE6-2BZ | data/3L/3LE6-2BZ/3LE6-2BZ_ligand.pdbqt | data/3L/3LE6-2BZ/3LE6-2BZ_target.pdbqt | data/3L/3LE6-2BZ/3LE6-2BZ_decoys.pdbqt | data/3L/3LE6-2BZ/3LE6-2BZ_decoy_scores.csv |
3LU1-NAD | data/3L/3LU1-NAD/3LU1-NAD_ligand.pdbqt | data/3L/3LU1-NAD/3LU1-NAD_target.pdbqt | data/3L/3LU1-NAD/3LU1-NAD_decoys.pdbqt | data/3L/3LU1-NAD/3LU1-NAD_decoy_scores.csv |
3LNL-B3P | data/3L/3LNL-B3P/3LNL-B3P_ligand.pdbqt | data/3L/3LNL-B3P/3LNL-B3P_target.pdbqt | data/3L/3LNL-B3P/3LNL-B3P_decoys.pdbqt | data/3L/3LNL-B3P/3LNL-B3P_decoy_scores.csv |
3L03-4OH | data/3L/3L03-4OH/3L03-4OH_ligand.pdbqt | data/3L/3L03-4OH/3L03-4OH_target.pdbqt | data/3L/3L03-4OH/3L03-4OH_decoys.pdbqt | data/3L/3L03-4OH/3L03-4OH_decoy_scores.csv |
3LF0-ATP | data/3L/3LF0-ATP/3LF0-ATP_ligand.pdbqt | data/3L/3LF0-ATP/3LF0-ATP_target.pdbqt | data/3L/3LF0-ATP/3LF0-ATP_decoys.pdbqt | data/3L/3LF0-ATP/3LF0-ATP_decoy_scores.csv |
3L86-NLG | data/3L/3L86-NLG/3L86-NLG_ligand.pdbqt | data/3L/3L86-NLG/3L86-NLG_target.pdbqt | data/3L/3L86-NLG/3L86-NLG_decoys.pdbqt | data/3L/3L86-NLG/3L86-NLG_decoy_scores.csv |
3LFS-A07 | data/3L/3LFS-A07/3LFS-A07_ligand.pdbqt | data/3L/3LFS-A07/3LFS-A07_target.pdbqt | data/3L/3LFS-A07/3LFS-A07_decoys.pdbqt | data/3L/3LFS-A07/3LFS-A07_decoy_scores.csv |
3LL5-IP8 | data/3L/3LL5-IP8/3LL5-IP8_ligand.pdbqt | data/3L/3LL5-IP8/3LL5-IP8_target.pdbqt | data/3L/3LL5-IP8/3LL5-IP8_decoys.pdbqt | data/3L/3LL5-IP8/3LL5-IP8_decoy_scores.csv |
3LHG-Z81 | data/3L/3LHG-Z81/3LHG-Z81_ligand.pdbqt | data/3L/3LHG-Z81/3LHG-Z81_target.pdbqt | data/3L/3LHG-Z81/3LHG-Z81_decoys.pdbqt | data/3L/3LHG-Z81/3LHG-Z81_decoy_scores.csv |
3LE8-2B5 | data/3L/3LE8-2B5/3LE8-2B5_ligand.pdbqt | data/3L/3LE8-2B5/3LE8-2B5_target.pdbqt | data/3L/3LE8-2B5/3LE8-2B5_decoys.pdbqt | data/3L/3LE8-2B5/3LE8-2B5_decoy_scores.csv |
3L9M-L9M | data/3L/3L9M-L9M/3L9M-L9M_ligand.pdbqt | data/3L/3L9M-L9M/3L9M-L9M_target.pdbqt | data/3L/3L9M-L9M/3L9M-L9M_decoys.pdbqt | data/3L/3L9M-L9M/3L9M-L9M_decoy_scores.csv |
3LQ8-88Z | data/3L/3LQ8-88Z/3LQ8-88Z_ligand.pdbqt | data/3L/3LQ8-88Z/3LQ8-88Z_target.pdbqt | data/3L/3LQ8-88Z/3LQ8-88Z_decoys.pdbqt | data/3L/3LQ8-88Z/3LQ8-88Z_decoy_scores.csv |
3LUN-ARG | data/3L/3LUN-ARG/3LUN-ARG_ligand.pdbqt | data/3L/3LUN-ARG/3LUN-ARG_target.pdbqt | data/3L/3LUN-ARG/3LUN-ARG_decoys.pdbqt | data/3L/3LUN-ARG/3LUN-ARG_decoy_scores.csv |
3LLE-SGE | data/3L/3LLE-SGE/3LLE-SGE_ligand.pdbqt | data/3L/3LLE-SGE/3LLE-SGE_target.pdbqt | data/3L/3LLE-SGE/3LLE-SGE_decoys.pdbqt | data/3L/3LLE-SGE/3LLE-SGE_decoy_scores.csv |
3L02-SN0 | data/3L/3L02-SN0/3L02-SN0_ligand.pdbqt | data/3L/3L02-SN0/3L02-SN0_target.pdbqt | data/3L/3L02-SN0/3L02-SN0_decoys.pdbqt | data/3L/3L02-SN0/3L02-SN0_decoy_scores.csv |
3L31-AMP | data/3L/3L31-AMP/3L31-AMP_ligand.pdbqt | data/3L/3L31-AMP/3L31-AMP_target.pdbqt | data/3L/3L31-AMP/3L31-AMP_decoys.pdbqt | data/3L/3L31-AMP/3L31-AMP_decoy_scores.csv |
3LVV-LBP | data/3L/3LVV-LBP/3LVV-LBP_ligand.pdbqt | data/3L/3LVV-LBP/3LVV-LBP_target.pdbqt | data/3L/3LVV-LBP/3LVV-LBP_decoys.pdbqt | data/3L/3LVV-LBP/3LVV-LBP_decoy_scores.csv |
3LKK-ATP | data/3L/3LKK-ATP/3LKK-ATP_ligand.pdbqt | data/3L/3LKK-ATP/3LKK-ATP_target.pdbqt | data/3L/3LKK-ATP/3LKK-ATP_decoys.pdbqt | data/3L/3LKK-ATP/3LKK-ATP_decoy_scores.csv |
3LBG-8TX | data/3L/3LBG-8TX/3LBG-8TX_ligand.pdbqt | data/3L/3LBG-8TX/3LBG-8TX_target.pdbqt | data/3L/3LBG-8TX/3LBG-8TX_decoys.pdbqt | data/3L/3LBG-8TX/3LBG-8TX_decoy_scores.csv |
3LU1-UD2 | data/3L/3LU1-UD2/3LU1-UD2_ligand.pdbqt | data/3L/3LU1-UD2/3LU1-UD2_target.pdbqt | data/3L/3LU1-UD2/3LU1-UD2_decoys.pdbqt | data/3L/3LU1-UD2/3LU1-UD2_decoy_scores.csv |
3LSX-GLU | data/3L/3LSX-GLU/3LSX-GLU_ligand.pdbqt | data/3L/3LSX-GLU/3LSX-GLU_target.pdbqt | data/3L/3LSX-GLU/3LSX-GLU_decoys.pdbqt | data/3L/3LSX-GLU/3LSX-GLU_decoy_scores.csv |
3LHW-BMQ | data/3L/3LHW-BMQ/3LHW-BMQ_ligand.pdbqt | data/3L/3LHW-BMQ/3LHW-BMQ_target.pdbqt | data/3L/3LHW-BMQ/3LHW-BMQ_decoys.pdbqt | data/3L/3LHW-BMQ/3LHW-BMQ_decoy_scores.csv |
3L6J-Z90 | data/3L/3L6J-Z90/3L6J-Z90_ligand.pdbqt | data/3L/3L6J-Z90/3L6J-Z90_target.pdbqt | data/3L/3L6J-Z90/3L6J-Z90_decoys.pdbqt | data/3L/3L6J-Z90/3L6J-Z90_decoy_scores.csv |
3LQG-388 | data/3L/3LQG-388/3LQG-388_ligand.pdbqt | data/3L/3LQG-388/3LQG-388_target.pdbqt | data/3L/3LQG-388/3LQG-388_decoys.pdbqt | data/3L/3LQG-388/3LQG-388_decoy_scores.csv |
3L6G-B3P | data/3L/3L6G-B3P/3L6G-B3P_ligand.pdbqt | data/3L/3L6G-B3P/3L6G-B3P_target.pdbqt | data/3L/3L6G-B3P/3L6G-B3P_decoys.pdbqt | data/3L/3L6G-B3P/3L6G-B3P_decoy_scores.csv |
3LGA-SAH | data/3L/3LGA-SAH/3LGA-SAH_ligand.pdbqt | data/3L/3LGA-SAH/3LGA-SAH_target.pdbqt | data/3L/3LGA-SAH/3LGA-SAH_decoys.pdbqt | data/3L/3LGA-SAH/3LGA-SAH_decoy_scores.csv |
3LT1-NAD | data/3L/3LT1-NAD/3LT1-NAD_ligand.pdbqt | data/3L/3LT1-NAD/3LT1-NAD_target.pdbqt | data/3L/3LT1-NAD/3LT1-NAD_decoys.pdbqt | data/3L/3LT1-NAD/3LT1-NAD_decoy_scores.csv |
3LYQ-FLC | data/3L/3LYQ-FLC/3LYQ-FLC_ligand.pdbqt | data/3L/3LYQ-FLC/3LYQ-FLC_target.pdbqt | data/3L/3LYQ-FLC/3LYQ-FLC_decoys.pdbqt | data/3L/3LYQ-FLC/3LYQ-FLC_decoy_scores.csv |
3LTH-UD1 | data/3L/3LTH-UD1/3LTH-UD1_ligand.pdbqt | data/3L/3LTH-UD1/3LTH-UD1_target.pdbqt | data/3L/3LTH-UD1/3LTH-UD1_decoys.pdbqt | data/3L/3LTH-UD1/3LTH-UD1_decoy_scores.csv |
3L9G-URC | data/3L/3L9G-URC/3L9G-URC_ligand.pdbqt | data/3L/3L9G-URC/3L9G-URC_target.pdbqt | data/3L/3L9G-URC/3L9G-URC_decoys.pdbqt | data/3L/3L9G-URC/3L9G-URC_decoy_scores.csv |
3L5E-BDW | data/3L/3L5E-BDW/3L5E-BDW_ligand.pdbqt | data/3L/3L5E-BDW/3L5E-BDW_target.pdbqt | data/3L/3L5E-BDW/3L5E-BDW_decoys.pdbqt | data/3L/3L5E-BDW/3L5E-BDW_decoy_scores.csv |
3LL3-DXP | data/3L/3LL3-DXP/3LL3-DXP_ligand.pdbqt | data/3L/3LL3-DXP/3LL3-DXP_target.pdbqt | data/3L/3LL3-DXP/3LL3-DXP_decoys.pdbqt | data/3L/3LL3-DXP/3LL3-DXP_decoy_scores.csv |
3LQ3-ADP | data/3L/3LQ3-ADP/3LQ3-ADP_ligand.pdbqt | data/3L/3LQ3-ADP/3LQ3-ADP_target.pdbqt | data/3L/3LQ3-ADP/3LQ3-ADP_decoys.pdbqt | data/3L/3LQ3-ADP/3LQ3-ADP_decoy_scores.csv |
3LDL-ATP | data/3L/3LDL-ATP/3LDL-ATP_ligand.pdbqt | data/3L/3LDL-ATP/3LDL-ATP_target.pdbqt | data/3L/3LDL-ATP/3LDL-ATP_decoys.pdbqt | data/3L/3LDL-ATP/3LDL-ATP_decoy_scores.csv |
3L3A-625 | data/3L/3L3A-625/3L3A-625_ligand.pdbqt | data/3L/3L3A-625/3L3A-625_target.pdbqt | data/3L/3L3A-625/3L3A-625_decoys.pdbqt | data/3L/3L3A-625/3L3A-625_decoy_scores.csv |
3L7A-DKY | data/3L/3L7A-DKY/3L7A-DKY_ligand.pdbqt | data/3L/3L7A-DKY/3L7A-DKY_target.pdbqt | data/3L/3L7A-DKY/3L7A-DKY_decoys.pdbqt | data/3L/3L7A-DKY/3L7A-DKY_decoy_scores.csv |
3L5M-FMN | data/3L/3L5M-FMN/3L5M-FMN_ligand.pdbqt | data/3L/3L5M-FMN/3L5M-FMN_target.pdbqt | data/3L/3L5M-FMN/3L5M-FMN_decoys.pdbqt | data/3L/3L5M-FMN/3L5M-FMN_decoy_scores.csv |
3LT4-FB4 | data/3L/3LT4-FB4/3LT4-FB4_ligand.pdbqt | data/3L/3LT4-FB4/3LT4-FB4_target.pdbqt | data/3L/3LT4-FB4/3LT4-FB4_decoys.pdbqt | data/3L/3LT4-FB4/3LT4-FB4_decoy_scores.csv |
3L14-I7B | data/3L/3L14-I7B/3L14-I7B_ligand.pdbqt | data/3L/3L14-I7B/3L14-I7B_target.pdbqt | data/3L/3L14-I7B/3L14-I7B_decoys.pdbqt | data/3L/3L14-I7B/3L14-I7B_decoy_scores.csv |
3L8K-ADP | data/3L/3L8K-ADP/3L8K-ADP_ligand.pdbqt | data/3L/3L8K-ADP/3L8K-ADP_target.pdbqt | data/3L/3L8K-ADP/3L8K-ADP_decoys.pdbqt | data/3L/3L8K-ADP/3L8K-ADP_decoy_scores.csv |
3L0B-1PG | data/3L/3L0B-1PG/3L0B-1PG_ligand.pdbqt | data/3L/3L0B-1PG/3L0B-1PG_target.pdbqt | data/3L/3L0B-1PG/3L0B-1PG_decoys.pdbqt | data/3L/3L0B-1PG/3L0B-1PG_decoy_scores.csv |
3LP4-LYS | data/3L/3LP4-LYS/3LP4-LYS_ligand.pdbqt | data/3L/3LP4-LYS/3LP4-LYS_target.pdbqt | data/3L/3LP4-LYS/3LP4-LYS_decoys.pdbqt | data/3L/3LP4-LYS/3LP4-LYS_decoy_scores.csv |
3LDW-IPE | data/3L/3LDW-IPE/3LDW-IPE_ligand.pdbqt | data/3L/3LDW-IPE/3LDW-IPE_target.pdbqt | data/3L/3LDW-IPE/3LDW-IPE_decoys.pdbqt | data/3L/3LDW-IPE/3LDW-IPE_decoy_scores.csv |
3L5B-BDO | data/3L/3L5B-BDO/3L5B-BDO_ligand.pdbqt | data/3L/3L5B-BDO/3L5B-BDO_target.pdbqt | data/3L/3L5B-BDO/3L5B-BDO_decoys.pdbqt | data/3L/3L5B-BDO/3L5B-BDO_decoy_scores.csv |
3LZ6-A0D | data/3L/3LZ6-A0D/3LZ6-A0D_ligand.pdbqt | data/3L/3LZ6-A0D/3LZ6-A0D_target.pdbqt | data/3L/3LZ6-A0D/3LZ6-A0D_decoys.pdbqt | data/3L/3LZ6-A0D/3LZ6-A0D_decoy_scores.csv |
3LUH-5GP | data/3L/3LUH-5GP/3LUH-5GP_ligand.pdbqt | data/3L/3LUH-5GP/3LUH-5GP_target.pdbqt | data/3L/3LUH-5GP/3LUH-5GP_decoys.pdbqt | data/3L/3LUH-5GP/3LUH-5GP_decoy_scores.csv |
3LOK-DJK | data/3L/3LOK-DJK/3LOK-DJK_ligand.pdbqt | data/3L/3LOK-DJK/3LOK-DJK_target.pdbqt | data/3L/3LOK-DJK/3LOK-DJK_decoys.pdbqt | data/3L/3LOK-DJK/3LOK-DJK_decoy_scores.csv |
3L5C-BDQ | data/3L/3L5C-BDQ/3L5C-BDQ_ligand.pdbqt | data/3L/3L5C-BDQ/3L5C-BDQ_target.pdbqt | data/3L/3L5C-BDQ/3L5C-BDQ_decoys.pdbqt | data/3L/3L5C-BDQ/3L5C-BDQ_decoy_scores.csv |
3LGS-SAH | data/3L/3LGS-SAH/3LGS-SAH_ligand.pdbqt | data/3L/3LGS-SAH/3LGS-SAH_target.pdbqt | data/3L/3LGS-SAH/3LGS-SAH_decoys.pdbqt | data/3L/3LGS-SAH/3LGS-SAH_decoy_scores.csv |
3LZU-017 | data/3L/3LZU-017/3LZU-017_ligand.pdbqt | data/3L/3LZU-017/3LZU-017_target.pdbqt | data/3L/3LZU-017/3LZU-017_decoys.pdbqt | data/3L/3LZU-017/3LZU-017_decoy_scores.csv |
3LK8-Z79 | data/3L/3LK8-Z79/3LK8-Z79_ligand.pdbqt | data/3L/3LK8-Z79/3LK8-Z79_target.pdbqt | data/3L/3LK8-Z79/3LK8-Z79_decoys.pdbqt | data/3L/3LK8-Z79/3LK8-Z79_decoy_scores.csv |
5SIO-JRC | data/5S/5SIO-JRC/5SIO-JRC_ligand.pdbqt | data/5S/5SIO-JRC/5SIO-JRC_target.pdbqt | data/5S/5SIO-JRC/5SIO-JRC_decoys.pdbqt | data/5S/5SIO-JRC/5SIO-JRC_decoy_scores.csv |
5SIQ-JRX | data/5S/5SIQ-JRX/5SIQ-JRX_ligand.pdbqt | data/5S/5SIQ-JRX/5SIQ-JRX_target.pdbqt | data/5S/5SIQ-JRX/5SIQ-JRX_decoys.pdbqt | data/5S/5SIQ-JRX/5SIQ-JRX_decoy_scores.csv |
5SI7-JML | data/5S/5SI7-JML/5SI7-JML_ligand.pdbqt | data/5S/5SI7-JML/5SI7-JML_target.pdbqt | data/5S/5SI7-JML/5SI7-JML_decoys.pdbqt | data/5S/5SI7-JML/5SI7-JML_decoy_scores.csv |
5SU0-VOE | data/5S/5SU0-VOE/5SU0-VOE_ligand.pdbqt | data/5S/5SU0-VOE/5SU0-VOE_target.pdbqt | data/5S/5SU0-VOE/5SU0-VOE_decoys.pdbqt | data/5S/5SU0-VOE/5SU0-VOE_decoy_scores.csv |
5SGC-IWK | data/5S/5SGC-IWK/5SGC-IWK_ligand.pdbqt | data/5S/5SGC-IWK/5SGC-IWK_target.pdbqt | data/5S/5SGC-IWK/5SGC-IWK_decoys.pdbqt | data/5S/5SGC-IWK/5SGC-IWK_decoy_scores.csv |
5SUG-W1E | data/5S/5SUG-W1E/5SUG-W1E_ligand.pdbqt | data/5S/5SUG-W1E/5SUG-W1E_target.pdbqt | data/5S/5SUG-W1E/5SUG-W1E_decoys.pdbqt | data/5S/5SUG-W1E/5SUG-W1E_decoy_scores.csv |
5S28-WRV | data/5S/5S28-WRV/5S28-WRV_ligand.pdbqt | data/5S/5S28-WRV/5S28-WRV_target.pdbqt | data/5S/5S28-WRV/5S28-WRV_decoys.pdbqt | data/5S/5S28-WRV/5S28-WRV_decoy_scores.csv |
5S5Y-GDP | data/5S/5S5Y-GDP/5S5Y-GDP_ligand.pdbqt | data/5S/5S5Y-GDP/5S5Y-GDP_target.pdbqt | data/5S/5S5Y-GDP/5S5Y-GDP_decoys.pdbqt | data/5S/5S5Y-GDP/5S5Y-GDP_decoy_scores.csv |
5S5X-GTP | data/5S/5S5X-GTP/5S5X-GTP_ligand.pdbqt | data/5S/5S5X-GTP/5S5X-GTP_target.pdbqt | data/5S/5S5X-GTP/5S5X-GTP_decoys.pdbqt | data/5S/5S5X-GTP/5S5X-GTP_decoy_scores.csv |
5SHT-JIV | data/5S/5SHT-JIV/5SHT-JIV_ligand.pdbqt | data/5S/5SHT-JIV/5SHT-JIV_target.pdbqt | data/5S/5SHT-JIV/5SHT-JIV_decoys.pdbqt | data/5S/5SHT-JIV/5SHT-JIV_decoy_scores.csv |
5SD2-HJI | data/5S/5SD2-HJI/5SD2-HJI_ligand.pdbqt | data/5S/5SD2-HJI/5SD2-HJI_target.pdbqt | data/5S/5SD2-HJI/5SD2-HJI_decoys.pdbqt | data/5S/5SD2-HJI/5SD2-HJI_decoy_scores.csv |
5S3R-W24 | data/5S/5S3R-W24/5S3R-W24_ligand.pdbqt | data/5S/5S3R-W24/5S3R-W24_target.pdbqt | data/5S/5S3R-W24/5S3R-W24_decoys.pdbqt | data/5S/5S3R-W24/5S3R-W24_decoy_scores.csv |
5SCV-H4U | data/5S/5SCV-H4U/5SCV-H4U_ligand.pdbqt | data/5S/5SCV-H4U/5SCV-H4U_target.pdbqt | data/5S/5SCV-H4U/5SCV-H4U_decoys.pdbqt | data/5S/5SCV-H4U/5SCV-H4U_decoy_scores.csv |
5SU6-W98 | data/5S/5SU6-W98/5SU6-W98_ligand.pdbqt | data/5S/5SU6-W98/5SU6-W98_target.pdbqt | data/5S/5SU6-W98/5SU6-W98_decoys.pdbqt | data/5S/5SU6-W98/5SU6-W98_decoy_scores.csv |
5SLF-LJA | data/5S/5SLF-LJA/5SLF-LJA_ligand.pdbqt | data/5S/5SLF-LJA/5SLF-LJA_target.pdbqt | data/5S/5SLF-LJA/5SLF-LJA_decoys.pdbqt | data/5S/5SLF-LJA/5SLF-LJA_decoy_scores.csv |
5S4U-ACP | data/5S/5S4U-ACP/5S4U-ACP_ligand.pdbqt | data/5S/5S4U-ACP/5S4U-ACP_target.pdbqt | data/5S/5S4U-ACP/5S4U-ACP_decoys.pdbqt | data/5S/5S4U-ACP/5S4U-ACP_decoy_scores.csv |
5S4Y-NSJ | data/5S/5S4Y-NSJ/5S4Y-NSJ_ligand.pdbqt | data/5S/5S4Y-NSJ/5S4Y-NSJ_target.pdbqt | data/5S/5S4Y-NSJ/5S4Y-NSJ_decoys.pdbqt | data/5S/5S4Y-NSJ/5S4Y-NSJ_decoy_scores.csv |
5SHP-JIG | data/5S/5SHP-JIG/5SHP-JIG_ligand.pdbqt | data/5S/5SHP-JIG/5SHP-JIG_target.pdbqt | data/5S/5SHP-JIG/5SHP-JIG_decoys.pdbqt | data/5S/5SHP-JIG/5SHP-JIG_decoy_scores.csv |
5S65-ACP | data/5S/5S65-ACP/5S65-ACP_ligand.pdbqt | data/5S/5S65-ACP/5S65-ACP_target.pdbqt | data/5S/5S65-ACP/5S65-ACP_decoys.pdbqt | data/5S/5S65-ACP/5S65-ACP_decoy_scores.csv |
5SGT-IYS | data/5S/5SGT-IYS/5SGT-IYS_ligand.pdbqt | data/5S/5SGT-IYS/5SGT-IYS_target.pdbqt | data/5S/5SGT-IYS/5SGT-IYS_decoys.pdbqt | data/5S/5SGT-IYS/5SGT-IYS_decoy_scores.csv |
5SHW-JJ6 | data/5S/5SHW-JJ6/5SHW-JJ6_ligand.pdbqt | data/5S/5SHW-JJ6/5SHW-JJ6_target.pdbqt | data/5S/5SHW-JJ6/5SHW-JJ6_decoys.pdbqt | data/5S/5SHW-JJ6/5SHW-JJ6_decoy_scores.csv |
5SU3-W8B | data/5S/5SU3-W8B/5SU3-W8B_ligand.pdbqt | data/5S/5SU3-W8B/5SU3-W8B_target.pdbqt | data/5S/5SU3-W8B/5SU3-W8B_decoys.pdbqt | data/5S/5SU3-W8B/5SU3-W8B_decoy_scores.csv |
5SHX-JJF | data/5S/5SHX-JJF/5SHX-JJF_ligand.pdbqt | data/5S/5SHX-JJF/5SHX-JJF_target.pdbqt | data/5S/5SHX-JJF/5SHX-JJF_decoys.pdbqt | data/5S/5SHX-JJF/5SHX-JJF_decoy_scores.csv |
5SF5-IJH | data/5S/5SF5-IJH/5SF5-IJH_ligand.pdbqt | data/5S/5SF5-IJH/5SF5-IJH_target.pdbqt | data/5S/5SF5-IJH/5SF5-IJH_decoys.pdbqt | data/5S/5SF5-IJH/5SF5-IJH_decoy_scores.csv |
5S7L-LU8 | data/5S/5S7L-LU8/5S7L-LU8_ligand.pdbqt | data/5S/5S7L-LU8/5S7L-LU8_target.pdbqt | data/5S/5S7L-LU8/5S7L-LU8_decoys.pdbqt | data/5S/5S7L-LU8/5S7L-LU8_decoy_scores.csv |
5SHH-JFW | data/5S/5SHH-JFW/5SHH-JFW_ligand.pdbqt | data/5S/5SHH-JFW/5SHH-JFW_target.pdbqt | data/5S/5SHH-JFW/5SHH-JFW_decoys.pdbqt | data/5S/5SHH-JFW/5SHH-JFW_decoy_scores.csv |
5S4Z-WN1 | data/5S/5S4Z-WN1/5S4Z-WN1_ligand.pdbqt | data/5S/5S4Z-WN1/5S4Z-WN1_target.pdbqt | data/5S/5S4Z-WN1/5S4Z-WN1_decoys.pdbqt | data/5S/5S4Z-WN1/5S4Z-WN1_decoy_scores.csv |
5S5B-GTP | data/5S/5S5B-GTP/5S5B-GTP_ligand.pdbqt | data/5S/5S5B-GTP/5S5B-GTP_target.pdbqt | data/5S/5S5B-GTP/5S5B-GTP_decoys.pdbqt | data/5S/5S5B-GTP/5S5B-GTP_decoy_scores.csv |
5SGF-IWY | data/5S/5SGF-IWY/5SGF-IWY_ligand.pdbqt | data/5S/5SGF-IWY/5SGF-IWY_target.pdbqt | data/5S/5SGF-IWY/5SGF-IWY_decoys.pdbqt | data/5S/5SGF-IWY/5SGF-IWY_decoy_scores.csv |
5SXR-ADP | data/5S/5SXR-ADP/5SXR-ADP_ligand.pdbqt | data/5S/5SXR-ADP/5SXR-ADP_target.pdbqt | data/5S/5SXR-ADP/5SXR-ADP_decoys.pdbqt | data/5S/5SXR-ADP/5SXR-ADP_decoy_scores.csv |
5SCA-I7N | data/5S/5SCA-I7N/5SCA-I7N_ligand.pdbqt | data/5S/5SCA-I7N/5SCA-I7N_target.pdbqt | data/5S/5SCA-I7N/5SCA-I7N_decoys.pdbqt | data/5S/5SCA-I7N/5SCA-I7N_decoy_scores.csv |
5S3H-W1M | data/5S/5S3H-W1M/5S3H-W1M_ligand.pdbqt | data/5S/5S3H-W1M/5S3H-W1M_target.pdbqt | data/5S/5S3H-W1M/5S3H-W1M_decoys.pdbqt | data/5S/5S3H-W1M/5S3H-W1M_decoy_scores.csv |
5S96-SAL | data/5S/5S96-SAL/5S96-SAL_ligand.pdbqt | data/5S/5S96-SAL/5S96-SAL_target.pdbqt | data/5S/5S96-SAL/5S96-SAL_decoys.pdbqt | data/5S/5S96-SAL/5S96-SAL_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.