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 ⌀ |
|---|---|---|---|---|
5P9U-7JL | data/5P/5P9U-7JL/5P9U-7JL_ligand.pdbqt | data/5P/5P9U-7JL/5P9U-7JL_target.pdbqt | data/5P/5P9U-7JL/5P9U-7JL_decoys.pdbqt | data/5P/5P9U-7JL/5P9U-7JL_decoy_scores.csv |
5PZN-8XP | data/5P/5PZN-8XP/5PZN-8XP_ligand.pdbqt | data/5P/5PZN-8XP/5PZN-8XP_target.pdbqt | data/5P/5PZN-8XP/5PZN-8XP_decoys.pdbqt | data/5P/5PZN-8XP/5PZN-8XP_decoy_scores.csv |
5P9N-NHE | data/5P/5P9N-NHE/5P9N-NHE_ligand.pdbqt | data/5P/5P9N-NHE/5P9N-NHE_target.pdbqt | data/5P/5P9N-NHE/5P9N-NHE_decoys.pdbqt | data/5P/5P9N-NHE/5P9N-NHE_decoy_scores.csv |
5P92-NHE | data/5P/5P92-NHE/5P92-NHE_ligand.pdbqt | data/5P/5P92-NHE/5P92-NHE_target.pdbqt | data/5P/5P92-NHE/5P92-NHE_decoys.pdbqt | data/5P/5P92-NHE/5P92-NHE_decoy_scores.csv |
5P9U-SAH | data/5P/5P9U-SAH/5P9U-SAH_ligand.pdbqt | data/5P/5P9U-SAH/5P9U-SAH_target.pdbqt | data/5P/5P9U-SAH/5P9U-SAH_decoys.pdbqt | data/5P/5P9U-SAH/5P9U-SAH_decoy_scores.csv |
5PB3-9S1 | data/5P/5PB3-9S1/5PB3-9S1_ligand.pdbqt | data/5P/5PB3-9S1/5PB3-9S1_target.pdbqt | data/5P/5PB3-9S1/5PB3-9S1_decoys.pdbqt | data/5P/5PB3-9S1/5PB3-9S1_decoy_scores.csv |
5P9Y-7JP | data/5P/5P9Y-7JP/5P9Y-7JP_ligand.pdbqt | data/5P/5P9Y-7JP/5P9Y-7JP_target.pdbqt | data/5P/5P9Y-7JP/5P9Y-7JP_decoys.pdbqt | data/5P/5P9Y-7JP/5P9Y-7JP_decoy_scores.csv |
5P9K-7G8 | data/5P/5P9K-7G8/5P9K-7G8_ligand.pdbqt | data/5P/5P9K-7G8/5P9K-7G8_target.pdbqt | data/5P/5P9K-7G8/5P9K-7G8_decoys.pdbqt | data/5P/5P9K-7G8/5P9K-7G8_decoy_scores.csv |
5PA0-SAH | data/5P/5PA0-SAH/5PA0-SAH_ligand.pdbqt | data/5P/5PA0-SAH/5PA0-SAH_target.pdbqt | data/5P/5PA0-SAH/5PA0-SAH_decoys.pdbqt | data/5P/5PA0-SAH/5PA0-SAH_decoy_scores.csv |
5PA4-7JD | data/5P/5PA4-7JD/5PA4-7JD_ligand.pdbqt | data/5P/5PA4-7JD/5PA4-7JD_target.pdbqt | data/5P/5PA4-7JD/5PA4-7JD_decoys.pdbqt | data/5P/5PA4-7JD/5PA4-7JD_decoy_scores.csv |
5P9H-7G7 | data/5P/5P9H-7G7/5P9H-7G7_ligand.pdbqt | data/5P/5P9H-7G7/5P9H-7G7_target.pdbqt | data/5P/5P9H-7G7/5P9H-7G7_decoys.pdbqt | data/5P/5P9H-7G7/5P9H-7G7_decoy_scores.csv |
5P9R-7JJ | data/5P/5P9R-7JJ/5P9R-7JJ_ligand.pdbqt | data/5P/5P9R-7JJ/5P9R-7JJ_target.pdbqt | data/5P/5P9R-7JJ/5P9R-7JJ_decoys.pdbqt | data/5P/5P9R-7JJ/5P9R-7JJ_decoy_scores.csv |
5P9N-7JE | data/5P/5P9N-7JE/5P9N-7JE_ligand.pdbqt | data/5P/5P9N-7JE/5P9N-7JE_target.pdbqt | data/5P/5P9N-7JE/5P9N-7JE_decoys.pdbqt | data/5P/5P9N-7JE/5P9N-7JE_decoy_scores.csv |
5P9P-SAH | data/5P/5P9P-SAH/5P9P-SAH_ligand.pdbqt | data/5P/5P9P-SAH/5P9P-SAH_target.pdbqt | data/5P/5P9P-SAH/5P9P-SAH_decoys.pdbqt | data/5P/5P9P-SAH/5P9P-SAH_decoy_scores.csv |
5P9D-77R | data/5P/5P9D-77R/5P9D-77R_ligand.pdbqt | data/5P/5P9D-77R/5P9D-77R_target.pdbqt | data/5P/5P9D-77R/5P9D-77R_decoys.pdbqt | data/5P/5P9D-77R/5P9D-77R_decoy_scores.csv |
5PA6-SAH | data/5P/5PA6-SAH/5PA6-SAH_ligand.pdbqt | data/5P/5PA6-SAH/5PA6-SAH_target.pdbqt | data/5P/5PA6-SAH/5PA6-SAH_decoys.pdbqt | data/5P/5PA6-SAH/5PA6-SAH_decoy_scores.csv |
5PA1-NHE | data/5P/5PA1-NHE/5PA1-NHE_ligand.pdbqt | data/5P/5PA1-NHE/5PA1-NHE_target.pdbqt | data/5P/5PA1-NHE/5PA1-NHE_decoys.pdbqt | data/5P/5PA1-NHE/5PA1-NHE_decoy_scores.csv |
5P94-NHE | data/5P/5P94-NHE/5P94-NHE_ligand.pdbqt | data/5P/5P94-NHE/5P94-NHE_target.pdbqt | data/5P/5P94-NHE/5P94-NHE_decoys.pdbqt | data/5P/5P94-NHE/5P94-NHE_decoy_scores.csv |
5P9G-7G6 | data/5P/5P9G-7G6/5P9G-7G6_ligand.pdbqt | data/5P/5P9G-7G6/5P9G-7G6_target.pdbqt | data/5P/5P9G-7G6/5P9G-7G6_decoys.pdbqt | data/5P/5P9G-7G6/5P9G-7G6_decoy_scores.csv |
5P8X-NHE | data/5P/5P8X-NHE/5P8X-NHE_ligand.pdbqt | data/5P/5P8X-NHE/5P8X-NHE_target.pdbqt | data/5P/5P8X-NHE/5P8X-NHE_decoys.pdbqt | data/5P/5P8X-NHE/5P8X-NHE_decoy_scores.csv |
5P8X-75Z | data/5P/5P8X-75Z/5P8X-75Z_ligand.pdbqt | data/5P/5P8X-75Z/5P8X-75Z_target.pdbqt | data/5P/5P8X-75Z/5P8X-75Z_decoys.pdbqt | data/5P/5P8X-75Z/5P8X-75Z_decoy_scores.csv |
5P93-76S | data/5P/5P93-76S/5P93-76S_ligand.pdbqt | data/5P/5P93-76S/5P93-76S_target.pdbqt | data/5P/5P93-76S/5P93-76S_decoys.pdbqt | data/5P/5P93-76S/5P93-76S_decoy_scores.csv |
5PB4-9RS | data/5P/5PB4-9RS/5PB4-9RS_ligand.pdbqt | data/5P/5PB4-9RS/5PB4-9RS_target.pdbqt | data/5P/5PB4-9RS/5PB4-9RS_decoys.pdbqt | data/5P/5PB4-9RS/5PB4-9RS_decoy_scores.csv |
5PAC-7Y7 | data/5P/5PAC-7Y7/5PAC-7Y7_ligand.pdbqt | data/5P/5PAC-7Y7/5PAC-7Y7_target.pdbqt | data/5P/5PAC-7Y7/5PAC-7Y7_decoys.pdbqt | data/5P/5PAC-7Y7/5PAC-7Y7_decoy_scores.csv |
5PZK-2N5 | data/5P/5PZK-2N5/5PZK-2N5_ligand.pdbqt | data/5P/5PZK-2N5/5PZK-2N5_target.pdbqt | data/5P/5PZK-2N5/5PZK-2N5_decoys.pdbqt | data/5P/5PZK-2N5/5PZK-2N5_decoy_scores.csv |
5PGX-8KD | data/5P/5PGX-8KD/5PGX-8KD_ligand.pdbqt | data/5P/5PGX-8KD/5PGX-8KD_target.pdbqt | data/5P/5PGX-8KD/5PGX-8KD_decoys.pdbqt | data/5P/5PGX-8KD/5PGX-8KD_decoy_scores.csv |
5PA0-CXS | data/5P/5PA0-CXS/5PA0-CXS_ligand.pdbqt | data/5P/5PA0-CXS/5PA0-CXS_target.pdbqt | data/5P/5PA0-CXS/5PA0-CXS_decoys.pdbqt | data/5P/5PA0-CXS/5PA0-CXS_decoy_scores.csv |
5PGW-8KA | data/5P/5PGW-8KA/5PGW-8KA_ligand.pdbqt | data/5P/5PGW-8KA/5PGW-8KA_target.pdbqt | data/5P/5PGW-8KA/5PGW-8KA_decoys.pdbqt | data/5P/5PGW-8KA/5PGW-8KA_decoy_scores.csv |
4HW3-19G | data/4H/4HW3-19G/4HW3-19G_ligand.pdbqt | data/4H/4HW3-19G/4HW3-19G_target.pdbqt | data/4H/4HW3-19G/4HW3-19G_decoys.pdbqt | data/4H/4HW3-19G/4HW3-19G_decoy_scores.csv |
4HV4-AMP | data/4H/4HV4-AMP/4HV4-AMP_ligand.pdbqt | data/4H/4HV4-AMP/4HV4-AMP_target.pdbqt | data/4H/4HV4-AMP/4HV4-AMP_decoys.pdbqt | data/4H/4HV4-AMP/4HV4-AMP_decoy_scores.csv |
4HO9-UTP | data/4H/4HO9-UTP/4HO9-UTP_ligand.pdbqt | data/4H/4HO9-UTP/4HO9-UTP_target.pdbqt | data/4H/4HO9-UTP/4HO9-UTP_decoys.pdbqt | data/4H/4HO9-UTP/4HO9-UTP_decoy_scores.csv |
4HPU-ANP | data/4H/4HPU-ANP/4HPU-ANP_ligand.pdbqt | data/4H/4HPU-ANP/4HPU-ANP_target.pdbqt | data/4H/4HPU-ANP/4HPU-ANP_decoys.pdbqt | data/4H/4HPU-ANP/4HPU-ANP_decoy_scores.csv |
4HBY-13F | data/4H/4HBY-13F/4HBY-13F_ligand.pdbqt | data/4H/4HBY-13F/4HBY-13F_target.pdbqt | data/4H/4HBY-13F/4HBY-13F_decoys.pdbqt | data/4H/4HBY-13F/4HBY-13F_decoy_scores.csv |
4H5F-ARG | data/4H/4H5F-ARG/4H5F-ARG_ligand.pdbqt | data/4H/4H5F-ARG/4H5F-ARG_target.pdbqt | data/4H/4H5F-ARG/4H5F-ARG_decoys.pdbqt | data/4H/4H5F-ARG/4H5F-ARG_decoy_scores.csv |
4HB6-DXC | data/4H/4HB6-DXC/4HB6-DXC_ligand.pdbqt | data/4H/4HB6-DXC/4HB6-DXC_target.pdbqt | data/4H/4HB6-DXC/4HB6-DXC_decoys.pdbqt | data/4H/4HB6-DXC/4HB6-DXC_decoy_scores.csv |
4H0V-ATP | data/4H/4H0V-ATP/4H0V-ATP_ligand.pdbqt | data/4H/4H0V-ATP/4H0V-ATP_target.pdbqt | data/4H/4H0V-ATP/4H0V-ATP_decoys.pdbqt | data/4H/4H0V-ATP/4H0V-ATP_decoy_scores.csv |
4HDO-GNP | data/4H/4HDO-GNP/4HDO-GNP_ligand.pdbqt | data/4H/4HDO-GNP/4HDO-GNP_target.pdbqt | data/4H/4HDO-GNP/4HDO-GNP_decoys.pdbqt | data/4H/4HDO-GNP/4HDO-GNP_decoy_scores.csv |
4HNB-FNR | data/4H/4HNB-FNR/4HNB-FNR_ligand.pdbqt | data/4H/4HNB-FNR/4HNB-FNR_target.pdbqt | data/4H/4HNB-FNR/4HNB-FNR_decoys.pdbqt | data/4H/4HNB-FNR/4HNB-FNR_decoy_scores.csv |
4H4C-10D | data/4H/4H4C-10D/4H4C-10D_ligand.pdbqt | data/4H/4H4C-10D/4H4C-10D_target.pdbqt | data/4H/4H4C-10D/4H4C-10D_decoys.pdbqt | data/4H/4H4C-10D/4H4C-10D_decoy_scores.csv |
4HC3-DXC | data/4H/4HC3-DXC/4HC3-DXC_ligand.pdbqt | data/4H/4HC3-DXC/4HC3-DXC_target.pdbqt | data/4H/4HC3-DXC/4HC3-DXC_decoys.pdbqt | data/4H/4HC3-DXC/4HC3-DXC_decoy_scores.csv |
4H3P-ANP | data/4H/4H3P-ANP/4H3P-ANP_ligand.pdbqt | data/4H/4H3P-ANP/4H3P-ANP_target.pdbqt | data/4H/4H3P-ANP/4H3P-ANP_decoys.pdbqt | data/4H/4H3P-ANP/4H3P-ANP_decoy_scores.csv |
4HAY-GNP | data/4H/4HAY-GNP/4HAY-GNP_ligand.pdbqt | data/4H/4HAY-GNP/4HAY-GNP_target.pdbqt | data/4H/4HAY-GNP/4HAY-GNP_decoys.pdbqt | data/4H/4HAY-GNP/4HAY-GNP_decoy_scores.csv |
4HX2-1AX | data/4H/4HX2-1AX/4HX2-1AX_ligand.pdbqt | data/4H/4HX2-1AX/4HX2-1AX_target.pdbqt | data/4H/4HX2-1AX/4HX2-1AX_decoys.pdbqt | data/4H/4HX2-1AX/4HX2-1AX_decoy_scores.csv |
4HU1-V13 | data/4H/4HU1-V13/4HU1-V13_ligand.pdbqt | data/4H/4HU1-V13/4HU1-V13_target.pdbqt | data/4H/4HU1-V13/4HU1-V13_decoys.pdbqt | data/4H/4HU1-V13/4HU1-V13_decoy_scores.csv |
4H2R-5HN | data/4H/4H2R-5HN/4H2R-5HN_ligand.pdbqt | data/4H/4H2R-5HN/4H2R-5HN_target.pdbqt | data/4H/4H2R-5HN/4H2R-5HN_decoys.pdbqt | data/4H/4H2R-5HN/4H2R-5HN_decoy_scores.csv |
4H2T-PNS | data/4H/4H2T-PNS/4H2T-PNS_ligand.pdbqt | data/4H/4H2T-PNS/4H2T-PNS_target.pdbqt | data/4H/4H2T-PNS/4H2T-PNS_decoys.pdbqt | data/4H/4H2T-PNS/4H2T-PNS_decoy_scores.csv |
4HV7-19J | data/4H/4HV7-19J/4HV7-19J_ligand.pdbqt | data/4H/4HV7-19J/4HV7-19J_target.pdbqt | data/4H/4HV7-19J/4HV7-19J_decoys.pdbqt | data/4H/4HV7-19J/4HV7-19J_decoy_scores.csv |
4HXM-1A8 | data/4H/4HXM-1A8/4HXM-1A8_ligand.pdbqt | data/4H/4HXM-1A8/4HXM-1A8_target.pdbqt | data/4H/4HXM-1A8/4HXM-1A8_decoys.pdbqt | data/4H/4HXM-1A8/4HXM-1A8_decoy_scores.csv |
4HVI-19S | data/4H/4HVI-19S/4HVI-19S_ligand.pdbqt | data/4H/4HVI-19S/4HVI-19S_target.pdbqt | data/4H/4HVI-19S/4HVI-19S_decoys.pdbqt | data/4H/4HVI-19S/4HVI-19S_decoy_scores.csv |
4HGE-15V | data/4H/4HGE-15V/4HGE-15V_ligand.pdbqt | data/4H/4HGE-15V/4HGE-15V_target.pdbqt | data/4H/4HGE-15V/4HGE-15V_decoys.pdbqt | data/4H/4HGE-15V/4HGE-15V_decoy_scores.csv |
4HN1-TYD | data/4H/4HN1-TYD/4HN1-TYD_ligand.pdbqt | data/4H/4HN1-TYD/4HN1-TYD_target.pdbqt | data/4H/4HN1-TYD/4HN1-TYD_decoys.pdbqt | data/4H/4HN1-TYD/4HN1-TYD_decoy_scores.csv |
4HMX-WUB | data/4H/4HMX-WUB/4HMX-WUB_ligand.pdbqt | data/4H/4HMX-WUB/4HMX-WUB_target.pdbqt | data/4H/4HMX-WUB/4HMX-WUB_decoys.pdbqt | data/4H/4HMX-WUB/4HMX-WUB_decoy_scores.csv |
4HYM-CJC | data/4H/4HYM-CJC/4HYM-CJC_ligand.pdbqt | data/4H/4HYM-CJC/4HYM-CJC_target.pdbqt | data/4H/4HYM-CJC/4HYM-CJC_decoys.pdbqt | data/4H/4HYM-CJC/4HYM-CJC_decoy_scores.csv |
4HGP-KDO | data/4H/4HGP-KDO/4HGP-KDO_ligand.pdbqt | data/4H/4HGP-KDO/4HGP-KDO_target.pdbqt | null | null |
4H2W-PNS | data/4H/4H2W-PNS/4H2W-PNS_ligand.pdbqt | data/4H/4H2W-PNS/4H2W-PNS_target.pdbqt | data/4H/4H2W-PNS/4H2W-PNS_decoys.pdbqt | data/4H/4H2W-PNS/4H2W-PNS_decoy_scores.csv |
4H2Z-MYS | data/4H/4H2Z-MYS/4H2Z-MYS_ligand.pdbqt | data/4H/4H2Z-MYS/4H2Z-MYS_target.pdbqt | data/4H/4H2Z-MYS/4H2Z-MYS_decoys.pdbqt | data/4H/4H2Z-MYS/4H2Z-MYS_decoy_scores.csv |
4HYS-1BJ | data/4H/4HYS-1BJ/4HYS-1BJ_ligand.pdbqt | data/4H/4HYS-1BJ/4HYS-1BJ_target.pdbqt | data/4H/4HYS-1BJ/4HYS-1BJ_decoys.pdbqt | data/4H/4HYS-1BJ/4HYS-1BJ_decoy_scores.csv |
4HCU-13L | data/4H/4HCU-13L/4HCU-13L_ligand.pdbqt | data/4H/4HCU-13L/4HCU-13L_target.pdbqt | data/4H/4HCU-13L/4HCU-13L_decoys.pdbqt | data/4H/4HCU-13L/4HCU-13L_decoy_scores.csv |
4HEU-15J | data/4H/4HEU-15J/4HEU-15J_ligand.pdbqt | data/4H/4HEU-15J/4HEU-15J_target.pdbqt | data/4H/4HEU-15J/4HEU-15J_decoys.pdbqt | data/4H/4HEU-15J/4HEU-15J_decoy_scores.csv |
4HZ0-1AV | data/4H/4HZ0-1AV/4HZ0-1AV_ligand.pdbqt | data/4H/4HZ0-1AV/4HZ0-1AV_target.pdbqt | data/4H/4HZ0-1AV/4HZ0-1AV_decoys.pdbqt | data/4H/4HZ0-1AV/4HZ0-1AV_decoy_scores.csv |
4H9G-GNP | data/4H/4H9G-GNP/4H9G-GNP_ligand.pdbqt | data/4H/4H9G-GNP/4H9G-GNP_target.pdbqt | data/4H/4H9G-GNP/4H9G-GNP_decoys.pdbqt | data/4H/4H9G-GNP/4H9G-GNP_decoy_scores.csv |
4HC4-SAH | data/4H/4HC4-SAH/4HC4-SAH_ligand.pdbqt | data/4H/4HC4-SAH/4HC4-SAH_target.pdbqt | data/4H/4HC4-SAH/4HC4-SAH_decoys.pdbqt | data/4H/4HC4-SAH/4HC4-SAH_decoy_scores.csv |
4HSR-GLJ | data/4H/4HSR-GLJ/4HSR-GLJ_ligand.pdbqt | data/4H/4HSR-GLJ/4HSR-GLJ_target.pdbqt | data/4H/4HSR-GLJ/4HSR-GLJ_decoys.pdbqt | data/4H/4HSR-GLJ/4HSR-GLJ_decoy_scores.csv |
4HYJ-RET | data/4H/4HYJ-RET/4HYJ-RET_ligand.pdbqt | data/4H/4HYJ-RET/4HYJ-RET_target.pdbqt | data/4H/4HYJ-RET/4HYJ-RET_decoys.pdbqt | data/4H/4HYJ-RET/4HYJ-RET_decoy_scores.csv |
4H75-NHE | data/4H/4H75-NHE/4H75-NHE_ligand.pdbqt | data/4H/4H75-NHE/4H75-NHE_target.pdbqt | data/4H/4H75-NHE/4H75-NHE_decoys.pdbqt | data/4H/4H75-NHE/4H75-NHE_decoy_scores.csv |
4HAW-GNP | data/4H/4HAW-GNP/4HAW-GNP_ligand.pdbqt | data/4H/4HAW-GNP/4HAW-GNP_target.pdbqt | data/4H/4HAW-GNP/4HAW-GNP_decoys.pdbqt | data/4H/4HAW-GNP/4HAW-GNP_decoy_scores.csv |
4HBV-15E | data/4H/4HBV-15E/4HBV-15E_ligand.pdbqt | data/4H/4HBV-15E/4HBV-15E_target.pdbqt | data/4H/4HBV-15E/4HBV-15E_decoys.pdbqt | data/4H/4HBV-15E/4HBV-15E_decoy_scores.csv |
4HAX-GNP | data/4H/4HAX-GNP/4HAX-GNP_ligand.pdbqt | data/4H/4HAX-GNP/4HAX-GNP_target.pdbqt | data/4H/4HAX-GNP/4HAX-GNP_decoys.pdbqt | data/4H/4HAX-GNP/4HAX-GNP_decoy_scores.csv |
4HN4-0JO | data/4H/4HN4-0JO/4HN4-0JO_ligand.pdbqt | data/4H/4HN4-0JO/4HN4-0JO_target.pdbqt | null | null |
4HDP-G52 | data/4H/4HDP-G52/4HDP-G52_ligand.pdbqt | data/4H/4HDP-G52/4HDP-G52_target.pdbqt | data/4H/4HDP-G52/4HDP-G52_decoys.pdbqt | data/4H/4HDP-G52/4HDP-G52_decoy_scores.csv |
4HMU-FMN | data/4H/4HMU-FMN/4HMU-FMN_ligand.pdbqt | data/4H/4HMU-FMN/4HMU-FMN_target.pdbqt | data/4H/4HMU-FMN/4HMU-FMN_decoys.pdbqt | data/4H/4HMU-FMN/4HMU-FMN_decoy_scores.csv |
4HTF-SAM | data/4H/4HTF-SAM/4HTF-SAM_ligand.pdbqt | data/4H/4HTF-SAM/4HTF-SAM_target.pdbqt | data/4H/4HTF-SAM/4HTF-SAM_decoys.pdbqt | data/4H/4HTF-SAM/4HTF-SAM_decoy_scores.csv |
4HAT-LMB | data/4H/4HAT-LMB/4HAT-LMB_ligand.pdbqt | data/4H/4HAT-LMB/4HAT-LMB_target.pdbqt | data/4H/4HAT-LMB/4HAT-LMB_decoys.pdbqt | data/4H/4HAT-LMB/4HAT-LMB_decoy_scores.csv |
4H0Z-AMU | data/4H/4H0Z-AMU/4H0Z-AMU_ligand.pdbqt | data/4H/4H0Z-AMU/4H0Z-AMU_target.pdbqt | data/4H/4H0Z-AMU/4H0Z-AMU_decoys.pdbqt | data/4H/4H0Z-AMU/4H0Z-AMU_decoy_scores.csv |
4HVH-19R | data/4H/4HVH-19R/4HVH-19R_ligand.pdbqt | data/4H/4HVH-19R/4HVH-19R_target.pdbqt | data/4H/4HVH-19R/4HVH-19R_decoys.pdbqt | data/4H/4HVH-19R/4HVH-19R_decoy_scores.csv |
4HSH-QEI | data/4H/4HSH-QEI/4HSH-QEI_ligand.pdbqt | data/4H/4HSH-QEI/4HSH-QEI_target.pdbqt | data/4H/4HSH-QEI/4HSH-QEI_decoys.pdbqt | data/4H/4HSH-QEI/4HSH-QEI_decoy_scores.csv |
4HTH-THP | data/4H/4HTH-THP/4HTH-THP_ligand.pdbqt | data/4H/4HTH-THP/4HTH-THP_target.pdbqt | data/4H/4HTH-THP/4HTH-THP_decoys.pdbqt | data/4H/4HTH-THP/4HTH-THP_decoy_scores.csv |
4H0I-MMA | data/4H/4H0I-MMA/4H0I-MMA_ligand.pdbqt | data/4H/4H0I-MMA/4H0I-MMA_target.pdbqt | data/4H/4H0I-MMA/4H0I-MMA_decoys.pdbqt | data/4H/4H0I-MMA/4H0I-MMA_decoy_scores.csv |
4HB4-LMB | data/4H/4HB4-LMB/4HB4-LMB_ligand.pdbqt | data/4H/4HB4-LMB/4HB4-LMB_target.pdbqt | data/4H/4HB4-LMB/4HB4-LMB_decoys.pdbqt | data/4H/4HB4-LMB/4HB4-LMB_decoy_scores.csv |
4HPJ-1D0 | data/4H/4HPJ-1D0/4HPJ-1D0_ligand.pdbqt | data/4H/4HPJ-1D0/4HPJ-1D0_target.pdbqt | null | null |
4H41-PG6 | data/4H/4H41-PG6/4H41-PG6_ligand.pdbqt | data/4H/4H41-PG6/4H41-PG6_target.pdbqt | data/4H/4H41-PG6/4H41-PG6_decoys.pdbqt | data/4H/4H41-PG6/4H41-PG6_decoy_scores.csv |
4H1U-FLC | data/4H/4H1U-FLC/4H1U-FLC_ligand.pdbqt | data/4H/4H1U-FLC/4H1U-FLC_target.pdbqt | data/4H/4H1U-FLC/4H1U-FLC_decoys.pdbqt | data/4H/4H1U-FLC/4H1U-FLC_decoy_scores.csv |
4HNF-16W | data/4H/4HNF-16W/4HNF-16W_ligand.pdbqt | data/4H/4HNF-16W/4HNF-16W_target.pdbqt | data/4H/4HNF-16W/4HNF-16W_decoys.pdbqt | data/4H/4HNF-16W/4HNF-16W_decoy_scores.csv |
4HHR-P6G | data/4H/4HHR-P6G/4HHR-P6G_ligand.pdbqt | data/4H/4HHR-P6G/4HHR-P6G_target.pdbqt | data/4H/4HHR-P6G/4HHR-P6G_decoys.pdbqt | data/4H/4HHR-P6G/4HHR-P6G_decoy_scores.csv |
4HO5-DAU | data/4H/4HO5-DAU/4HO5-DAU_ligand.pdbqt | data/4H/4HO5-DAU/4HO5-DAU_target.pdbqt | data/4H/4HO5-DAU/4HO5-DAU_decoys.pdbqt | data/4H/4HO5-DAU/4HO5-DAU_decoy_scores.csv |
4HLW-17W | data/4H/4HLW-17W/4HLW-17W_ligand.pdbqt | data/4H/4HLW-17W/4HLW-17W_target.pdbqt | data/4H/4HLW-17W/4HLW-17W_decoys.pdbqt | data/4H/4HLW-17W/4HLW-17W_decoy_scores.csv |
4HNC-0UT | data/4H/4HNC-0UT/4HNC-0UT_ligand.pdbqt | data/4H/4HNC-0UT/4HNC-0UT_target.pdbqt | data/4H/4HNC-0UT/4HNC-0UT_decoys.pdbqt | data/4H/4HNC-0UT/4HNC-0UT_decoy_scores.csv |
4H4D-10E | data/4H/4H4D-10E/4H4D-10E_ligand.pdbqt | data/4H/4H4D-10E/4H4D-10E_target.pdbqt | data/4H/4H4D-10E/4H4D-10E_decoys.pdbqt | data/4H/4H4D-10E/4H4D-10E_decoy_scores.csv |
4H1V-GNP | data/4H/4H1V-GNP/4H1V-GNP_ligand.pdbqt | data/4H/4H1V-GNP/4H1V-GNP_target.pdbqt | data/4H/4H1V-GNP/4H1V-GNP_decoys.pdbqt | data/4H/4H1V-GNP/4H1V-GNP_decoy_scores.csv |
4H3F-10O | data/4H/4H3F-10O/4H3F-10O_ligand.pdbqt | data/4H/4H3F-10O/4H3F-10O_target.pdbqt | data/4H/4H3F-10O/4H3F-10O_decoys.pdbqt | data/4H/4H3F-10O/4H3F-10O_decoy_scores.csv |
4HF4-15H | data/4H/4HF4-15H/4HF4-15H_ligand.pdbqt | data/4H/4HF4-15H/4HF4-15H_target.pdbqt | data/4H/4HF4-15H/4HF4-15H_decoys.pdbqt | data/4H/4HF4-15H/4HF4-15H_decoy_scores.csv |
4H97-53S | data/4H/4H97-53S/4H97-53S_ligand.pdbqt | data/4H/4H97-53S/4H97-53S_target.pdbqt | data/4H/4H97-53S/4H97-53S_decoys.pdbqt | data/4H/4H97-53S/4H97-53S_decoy_scores.csv |
4HRQ-AZG | data/4H/4HRQ-AZG/4HRQ-AZG_ligand.pdbqt | data/4H/4HRQ-AZG/4HRQ-AZG_target.pdbqt | data/4H/4HRQ-AZG/4HRQ-AZG_decoys.pdbqt | data/4H/4HRQ-AZG/4HRQ-AZG_decoy_scores.csv |
4HPP-GLU | data/4H/4HPP-GLU/4HPP-GLU_ligand.pdbqt | data/4H/4HPP-GLU/4HPP-GLU_target.pdbqt | data/4H/4HPP-GLU/4HPP-GLU_decoys.pdbqt | data/4H/4HPP-GLU/4HPP-GLU_decoy_scores.csv |
4HXF-Y3A | data/4H/4HXF-Y3A/4HXF-Y3A_ligand.pdbqt | data/4H/4HXF-Y3A/4HXF-Y3A_target.pdbqt | data/4H/4HXF-Y3A/4HXF-Y3A_decoys.pdbqt | data/4H/4HXF-Y3A/4HXF-Y3A_decoy_scores.csv |
4HVJ-AMP | data/4H/4HVJ-AMP/4HVJ-AMP_ligand.pdbqt | data/4H/4HVJ-AMP/4HVJ-AMP_target.pdbqt | data/4H/4HVJ-AMP/4HVJ-AMP_decoys.pdbqt | data/4H/4HVJ-AMP/4HVJ-AMP_decoy_scores.csv |
4HLD-16T | data/4H/4HLD-16T/4HLD-16T_ligand.pdbqt | data/4H/4HLD-16T/4HLD-16T_target.pdbqt | data/4H/4HLD-16T/4HLD-16T_decoys.pdbqt | data/4H/4HLD-16T/4HLD-16T_decoy_scores.csv |
4HDQ-GNP | data/4H/4HDQ-GNP/4HDQ-GNP_ligand.pdbqt | data/4H/4HDQ-GNP/4HDQ-GNP_target.pdbqt | data/4H/4HDQ-GNP/4HDQ-GNP_decoys.pdbqt | data/4H/4HDQ-GNP/4HDQ-GNP_decoy_scores.csv |
4HOG-18H | data/4H/4HOG-18H/4HOG-18H_ligand.pdbqt | data/4H/4HOG-18H/4HOG-18H_target.pdbqt | data/4H/4HOG-18H/4HOG-18H_decoys.pdbqt | data/4H/4HOG-18H/4HOG-18H_decoy_scores.csv |
4H2I-A12 | data/4H/4H2I-A12/4H2I-A12_ligand.pdbqt | data/4H/4H2I-A12/4H2I-A12_target.pdbqt | data/4H/4H2I-A12/4H2I-A12_decoys.pdbqt | data/4H/4H2I-A12/4H2I-A12_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.