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 ⌀ |
|---|---|---|---|---|
4HI0-GDP | data/4H/4HI0-GDP/4HI0-GDP_ligand.pdbqt | data/4H/4HI0-GDP/4HI0-GDP_target.pdbqt | data/4H/4HI0-GDP/4HI0-GDP_decoys.pdbqt | data/4H/4HI0-GDP/4HI0-GDP_decoy_scores.csv |
4HDB-G52 | data/4H/4HDB-G52/4HDB-G52_ligand.pdbqt | data/4H/4HDB-G52/4HDB-G52_target.pdbqt | data/4H/4HDB-G52/4HDB-G52_decoys.pdbqt | data/4H/4HDB-G52/4HDB-G52_decoy_scores.csv |
4H3Q-ANP | data/4H/4H3Q-ANP/4H3Q-ANP_ligand.pdbqt | data/4H/4H3Q-ANP/4H3Q-ANP_target.pdbqt | data/4H/4H3Q-ANP/4H3Q-ANP_decoys.pdbqt | data/4H/4H3Q-ANP/4H3Q-ANP_decoy_scores.csv |
4H46-AMP | data/4H/4H46-AMP/4H46-AMP_ligand.pdbqt | data/4H/4H46-AMP/4H46-AMP_target.pdbqt | data/4H/4H46-AMP/4H46-AMP_decoys.pdbqt | data/4H/4H46-AMP/4H46-AMP_decoy_scores.csv |
4H1J-0YH | data/4H/4H1J-0YH/4H1J-0YH_ligand.pdbqt | data/4H/4H1J-0YH/4H1J-0YH_target.pdbqt | data/4H/4H1J-0YH/4H1J-0YH_decoys.pdbqt | data/4H/4H1J-0YH/4H1J-0YH_decoy_scores.csv |
4H03-NAD | data/4H/4H03-NAD/4H03-NAD_ligand.pdbqt | data/4H/4H03-NAD/4H03-NAD_target.pdbqt | data/4H/4H03-NAD/4H03-NAD_decoys.pdbqt | data/4H/4H03-NAD/4H03-NAD_decoy_scores.csv |
4H2J-0YU | data/4H/4H2J-0YU/4H2J-0YU_ligand.pdbqt | data/4H/4H2J-0YU/4H2J-0YU_target.pdbqt | data/4H/4H2J-0YU/4H2J-0YU_decoys.pdbqt | data/4H/4H2J-0YU/4H2J-0YU_decoy_scores.csv |
4H80-04T | data/4H/4H80-04T/4H80-04T_ligand.pdbqt | data/4H/4H80-04T/4H80-04T_target.pdbqt | data/4H/4H80-04T/4H80-04T_decoys.pdbqt | data/4H/4H80-04T/4H80-04T_decoy_scores.csv |
4H2W-AMP | data/4H/4H2W-AMP/4H2W-AMP_ligand.pdbqt | data/4H/4H2W-AMP/4H2W-AMP_target.pdbqt | data/4H/4H2W-AMP/4H2W-AMP_decoys.pdbqt | data/4H/4H2W-AMP/4H2W-AMP_decoy_scores.csv |
4H46-F6P | data/4H/4H46-F6P/4H46-F6P_ligand.pdbqt | data/4H/4H46-F6P/4H46-F6P_target.pdbqt | data/4H/4H46-F6P/4H46-F6P_decoys.pdbqt | data/4H/4H46-F6P/4H46-F6P_decoy_scores.csv |
4HSE-ADP | data/4H/4HSE-ADP/4HSE-ADP_ligand.pdbqt | data/4H/4HSE-ADP/4HSE-ADP_target.pdbqt | data/4H/4HSE-ADP/4HSE-ADP_decoys.pdbqt | data/4H/4HSE-ADP/4HSE-ADP_decoy_scores.csv |
4HJF-C2E | data/4H/4HJF-C2E/4HJF-C2E_ligand.pdbqt | data/4H/4HJF-C2E/4HJF-C2E_target.pdbqt | data/4H/4HJF-C2E/4HJF-C2E_decoys.pdbqt | data/4H/4HJF-C2E/4HJF-C2E_decoy_scores.csv |
4H8V-TEU | data/4H/4H8V-TEU/4H8V-TEU_ligand.pdbqt | data/4H/4H8V-TEU/4H8V-TEU_target.pdbqt | data/4H/4H8V-TEU/4H8V-TEU_decoys.pdbqt | data/4H/4H8V-TEU/4H8V-TEU_decoy_scores.csv |
4HXR-1A4 | data/4H/4HXR-1A4/4HXR-1A4_ligand.pdbqt | data/4H/4HXR-1A4/4HXR-1A4_target.pdbqt | data/4H/4HXR-1A4/4HXR-1A4_decoys.pdbqt | data/4H/4HXR-1A4/4HXR-1A4_decoy_scores.csv |
4HAY-LMB | data/4H/4HAY-LMB/4HAY-LMB_ligand.pdbqt | data/4H/4HAY-LMB/4HAY-LMB_target.pdbqt | data/4H/4HAY-LMB/4HAY-LMB_decoys.pdbqt | data/4H/4HAY-LMB/4HAY-LMB_decoy_scores.csv |
4HXS-1A3 | data/4H/4HXS-1A3/4HXS-1A3_ligand.pdbqt | data/4H/4HXS-1A3/4HXS-1A3_target.pdbqt | data/4H/4HXS-1A3/4HXS-1A3_decoys.pdbqt | data/4H/4HXS-1A3/4HXS-1A3_decoy_scores.csv |
4H7Z-GUN | data/4H/4H7Z-GUN/4H7Z-GUN_ligand.pdbqt | data/4H/4H7Z-GUN/4H7Z-GUN_target.pdbqt | data/4H/4H7Z-GUN/4H7Z-GUN_decoys.pdbqt | data/4H/4H7Z-GUN/4H7Z-GUN_decoy_scores.csv |
4H4I-0WV | data/4H/4H4I-0WV/4H4I-0WV_ligand.pdbqt | data/4H/4H4I-0WV/4H4I-0WV_target.pdbqt | data/4H/4H4I-0WV/4H4I-0WV_decoys.pdbqt | data/4H/4H4I-0WV/4H4I-0WV_decoy_scores.csv |
4HOH-2GP | data/4H/4HOH-2GP/4HOH-2GP_ligand.pdbqt | data/4H/4HOH-2GP/4HOH-2GP_target.pdbqt | data/4H/4HOH-2GP/4HOH-2GP_decoys.pdbqt | data/4H/4HOH-2GP/4HOH-2GP_decoy_scores.csv |
4HY4-1BG | data/4H/4HY4-1BG/4HY4-1BG_ligand.pdbqt | data/4H/4HY4-1BG/4HY4-1BG_target.pdbqt | data/4H/4HY4-1BG/4HY4-1BG_decoys.pdbqt | data/4H/4HY4-1BG/4HY4-1BG_decoy_scores.csv |
4HDF-G52 | data/4H/4HDF-G52/4HDF-G52_ligand.pdbqt | data/4H/4HDF-G52/4HDF-G52_target.pdbqt | data/4H/4HDF-G52/4HDF-G52_decoys.pdbqt | data/4H/4HDF-G52/4HDF-G52_decoy_scores.csv |
4H8I-11W | data/4H/4H8I-11W/4H8I-11W_ligand.pdbqt | data/4H/4H8I-11W/4H8I-11W_target.pdbqt | data/4H/4H8I-11W/4H8I-11W_decoys.pdbqt | data/4H/4H8I-11W/4H8I-11W_decoy_scores.csv |
4H9X-HL4 | data/4H/4H9X-HL4/4H9X-HL4_ligand.pdbqt | data/4H/4H9X-HL4/4H9X-HL4_target.pdbqt | data/4H/4H9X-HL4/4H9X-HL4_decoys.pdbqt | data/4H/4H9X-HL4/4H9X-HL4_decoy_scores.csv |
4HWP-X16 | data/4H/4HWP-X16/4HWP-X16_ligand.pdbqt | data/4H/4HWP-X16/4HWP-X16_target.pdbqt | data/4H/4HWP-X16/4HWP-X16_decoys.pdbqt | data/4H/4HWP-X16/4HWP-X16_decoy_scores.csv |
4HGL-0YO | data/4H/4HGL-0YO/4HGL-0YO_ligand.pdbqt | data/4H/4HGL-0YO/4HGL-0YO_target.pdbqt | data/4H/4HGL-0YO/4HGL-0YO_decoys.pdbqt | data/4H/4HGL-0YO/4HGL-0YO_decoy_scores.csv |
4H0V-NAD | data/4H/4H0V-NAD/4H0V-NAD_ligand.pdbqt | data/4H/4H0V-NAD/4H0V-NAD_target.pdbqt | data/4H/4H0V-NAD/4H0V-NAD_decoys.pdbqt | data/4H/4H0V-NAD/4H0V-NAD_decoy_scores.csv |
4HUO-RS8 | data/4H/4HUO-RS8/4HUO-RS8_ligand.pdbqt | data/4H/4HUO-RS8/4HUO-RS8_target.pdbqt | data/4H/4HUO-RS8/4HUO-RS8_decoys.pdbqt | data/4H/4HUO-RS8/4HUO-RS8_decoy_scores.csv |
4H4E-10G | data/4H/4H4E-10G/4H4E-10G_ligand.pdbqt | data/4H/4H4E-10G/4H4E-10G_target.pdbqt | data/4H/4H4E-10G/4H4E-10G_decoys.pdbqt | data/4H/4H4E-10G/4H4E-10G_decoy_scores.csv |
4HT0-V50 | data/4H/4HT0-V50/4HT0-V50_ligand.pdbqt | data/4H/4HT0-V50/4HT0-V50_target.pdbqt | data/4H/4HT0-V50/4HT0-V50_decoys.pdbqt | data/4H/4HT0-V50/4HT0-V50_decoy_scores.csv |
4HA1-ISL | data/4H/4HA1-ISL/4HA1-ISL_ligand.pdbqt | data/4H/4HA1-ISL/4HA1-ISL_target.pdbqt | data/4H/4HA1-ISL/4HA1-ISL_decoys.pdbqt | data/4H/4HA1-ISL/4HA1-ISL_decoy_scores.csv |
4H5E-IPR | data/4H/4H5E-IPR/4H5E-IPR_ligand.pdbqt | data/4H/4H5E-IPR/4H5E-IPR_target.pdbqt | data/4H/4H5E-IPR/4H5E-IPR_decoys.pdbqt | data/4H/4H5E-IPR/4H5E-IPR_decoy_scores.csv |
4HKI-FLN | data/4H/4HKI-FLN/4HKI-FLN_ligand.pdbqt | data/4H/4HKI-FLN/4HKI-FLN_target.pdbqt | data/4H/4HKI-FLN/4HKI-FLN_decoys.pdbqt | data/4H/4HKI-FLN/4HKI-FLN_decoy_scores.csv |
4HCL-LLH | data/4H/4HCL-LLH/4HCL-LLH_ligand.pdbqt | data/4H/4HCL-LLH/4HCL-LLH_target.pdbqt | data/4H/4HCL-LLH/4HCL-LLH_decoys.pdbqt | data/4H/4HCL-LLH/4HCL-LLH_decoy_scores.csv |
4HY1-19X | data/4H/4HY1-19X/4HY1-19X_ligand.pdbqt | data/4H/4HY1-19X/4HY1-19X_target.pdbqt | data/4H/4HY1-19X/4HY1-19X_decoys.pdbqt | data/4H/4HY1-19X/4HY1-19X_decoy_scores.csv |
4H3C-0YZ | data/4H/4H3C-0YZ/4H3C-0YZ_ligand.pdbqt | data/4H/4H3C-0YZ/4H3C-0YZ_target.pdbqt | data/4H/4H3C-0YZ/4H3C-0YZ_decoys.pdbqt | data/4H/4H3C-0YZ/4H3C-0YZ_decoy_scores.csv |
4HMV-WUB | data/4H/4HMV-WUB/4HMV-WUB_ligand.pdbqt | data/4H/4HMV-WUB/4HMV-WUB_target.pdbqt | data/4H/4HMV-WUB/4HMV-WUB_decoys.pdbqt | data/4H/4HMV-WUB/4HMV-WUB_decoy_scores.csv |
4H3Y-SAH | data/4H/4H3Y-SAH/4H3Y-SAH_ligand.pdbqt | data/4H/4H3Y-SAH/4H3Y-SAH_target.pdbqt | data/4H/4H3Y-SAH/4H3Y-SAH_decoys.pdbqt | data/4H/4H3Y-SAH/4H3Y-SAH_decoy_scores.csv |
4H2B-0XE | data/4H/4H2B-0XE/4H2B-0XE_ligand.pdbqt | data/4H/4H2B-0XE/4H2B-0XE_target.pdbqt | data/4H/4H2B-0XE/4H2B-0XE_decoys.pdbqt | data/4H/4H2B-0XE/4H2B-0XE_decoy_scores.csv |
4HFN-CIY | data/4H/4HFN-CIY/4HFN-CIY_ligand.pdbqt | data/4H/4HFN-CIY/4HFN-CIY_target.pdbqt | data/4H/4HFN-CIY/4HFN-CIY_decoys.pdbqt | data/4H/4HFN-CIY/4HFN-CIY_decoy_scores.csv |
4H3J-10W | data/4H/4H3J-10W/4H3J-10W_ligand.pdbqt | data/4H/4H3J-10W/4H3J-10W_target.pdbqt | data/4H/4H3J-10W/4H3J-10W_decoys.pdbqt | data/4H/4H3J-10W/4H3J-10W_decoy_scores.csv |
4HBW-14Z | data/4H/4HBW-14Z/4HBW-14Z_ligand.pdbqt | data/4H/4HBW-14Z/4HBW-14Z_target.pdbqt | data/4H/4HBW-14Z/4HBW-14Z_decoys.pdbqt | data/4H/4HBW-14Z/4HBW-14Z_decoy_scores.csv |
4H81-WJ2 | data/4H/4H81-WJ2/4H81-WJ2_ligand.pdbqt | data/4H/4H81-WJ2/4H81-WJ2_target.pdbqt | data/4H/4H81-WJ2/4H81-WJ2_decoys.pdbqt | data/4H/4H81-WJ2/4H81-WJ2_decoy_scores.csv |
4HLM-16S | data/4H/4HLM-16S/4HLM-16S_ligand.pdbqt | data/4H/4HLM-16S/4HLM-16S_target.pdbqt | data/4H/4HLM-16S/4HLM-16S_decoys.pdbqt | data/4H/4HLM-16S/4HLM-16S_decoy_scores.csv |
4HVC-HFG | data/4H/4HVC-HFG/4HVC-HFG_ligand.pdbqt | data/4H/4HVC-HFG/4HVC-HFG_target.pdbqt | data/4H/4HVC-HFG/4HVC-HFG_decoys.pdbqt | data/4H/4HVC-HFG/4HVC-HFG_decoy_scores.csv |
4HO6-UTP | data/4H/4HO6-UTP/4HO6-UTP_ligand.pdbqt | data/4H/4HO6-UTP/4HO6-UTP_target.pdbqt | data/4H/4HO6-UTP/4HO6-UTP_decoys.pdbqt | data/4H/4HO6-UTP/4HO6-UTP_decoy_scores.csv |
4HCV-13J | data/4H/4HCV-13J/4HCV-13J_ligand.pdbqt | data/4H/4HCV-13J/4HCV-13J_target.pdbqt | data/4H/4HCV-13J/4HCV-13J_decoys.pdbqt | data/4H/4HCV-13J/4HCV-13J_decoy_scores.csv |
4H3D-SHL | data/4H/4H3D-SHL/4H3D-SHL_ligand.pdbqt | data/4H/4H3D-SHL/4H3D-SHL_target.pdbqt | data/4H/4H3D-SHL/4H3D-SHL_decoys.pdbqt | data/4H/4H3D-SHL/4H3D-SHL_decoy_scores.csv |
4HSO-TYR | data/4H/4HSO-TYR/4HSO-TYR_ligand.pdbqt | data/4H/4HSO-TYR/4HSO-TYR_target.pdbqt | data/4H/4HSO-TYR/4HSO-TYR_decoys.pdbqt | data/4H/4HSO-TYR/4HSO-TYR_decoy_scores.csv |
4HUT-ATP | data/4H/4HUT-ATP/4HUT-ATP_ligand.pdbqt | data/4H/4HUT-ATP/4HUT-ATP_target.pdbqt | data/4H/4HUT-ATP/4HUT-ATP_decoys.pdbqt | data/4H/4HUT-ATP/4HUT-ATP_decoy_scores.csv |
4HMO-B3P | data/4H/4HMO-B3P/4HMO-B3P_ligand.pdbqt | data/4H/4HMO-B3P/4HMO-B3P_target.pdbqt | data/4H/4HMO-B3P/4HMO-B3P_decoys.pdbqt | data/4H/4HMO-B3P/4HMO-B3P_decoy_scores.csv |
4HE1-F6P | data/4H/4HE1-F6P/4HE1-F6P_ligand.pdbqt | data/4H/4HE1-F6P/4HE1-F6P_target.pdbqt | data/4H/4HE1-F6P/4HE1-F6P_decoys.pdbqt | data/4H/4HE1-F6P/4HE1-F6P_decoy_scores.csv |
4HZF-CMP | data/4H/4HZF-CMP/4HZF-CMP_ligand.pdbqt | data/4H/4HZF-CMP/4HZF-CMP_target.pdbqt | data/4H/4HZF-CMP/4HZF-CMP_decoys.pdbqt | data/4H/4HZF-CMP/4HZF-CMP_decoy_scores.csv |
4H2T-G5A | data/4H/4H2T-G5A/4H2T-G5A_ligand.pdbqt | data/4H/4H2T-G5A/4H2T-G5A_target.pdbqt | data/4H/4H2T-G5A/4H2T-G5A_decoys.pdbqt | data/4H/4H2T-G5A/4H2T-G5A_decoy_scores.csv |
4HDG-GTP | data/4H/4HDG-GTP/4HDG-GTP_ligand.pdbqt | data/4H/4HDG-GTP/4HDG-GTP_target.pdbqt | data/4H/4HDG-GTP/4HDG-GTP_decoys.pdbqt | data/4H/4HDG-GTP/4HDG-GTP_decoy_scores.csv |
4HO2-THM | data/4H/4HO2-THM/4HO2-THM_ligand.pdbqt | data/4H/4HO2-THM/4HO2-THM_target.pdbqt | data/4H/4HO2-THM/4HO2-THM_decoys.pdbqt | data/4H/4HO2-THM/4HO2-THM_decoy_scores.csv |
4H7V-GLC | data/4H/4H7V-GLC/4H7V-GLC_ligand.pdbqt | data/4H/4H7V-GLC/4H7V-GLC_target.pdbqt | data/4H/4H7V-GLC/4H7V-GLC_decoys.pdbqt | data/4H/4H7V-GLC/4H7V-GLC_decoy_scores.csv |
4H2V-PNS | data/4H/4H2V-PNS/4H2V-PNS_ligand.pdbqt | data/4H/4H2V-PNS/4H2V-PNS_target.pdbqt | data/4H/4H2V-PNS/4H2V-PNS_decoys.pdbqt | data/4H/4H2V-PNS/4H2V-PNS_decoy_scores.csv |
4HAX-RJA | data/4H/4HAX-RJA/4HAX-RJA_ligand.pdbqt | data/4H/4HAX-RJA/4HAX-RJA_target.pdbqt | data/4H/4HAX-RJA/4HAX-RJA_decoys.pdbqt | data/4H/4HAX-RJA/4HAX-RJA_decoy_scores.csv |
4H0V-LAR | data/4H/4H0V-LAR/4H0V-LAR_ligand.pdbqt | data/4H/4H0V-LAR/4H0V-LAR_target.pdbqt | data/4H/4H0V-LAR/4H0V-LAR_decoys.pdbqt | data/4H/4H0V-LAR/4H0V-LAR_decoy_scores.csv |
4HSF-ARG | data/4H/4HSF-ARG/4HSF-ARG_ligand.pdbqt | data/4H/4HSF-ARG/4HSF-ARG_target.pdbqt | data/4H/4HSF-ARG/4HSF-ARG_decoys.pdbqt | data/4H/4HSF-ARG/4HSF-ARG_decoy_scores.csv |
4HMN-16J | data/4H/4HMN-16J/4HMN-16J_ligand.pdbqt | data/4H/4HMN-16J/4HMN-16J_target.pdbqt | data/4H/4HMN-16J/4HMN-16J_decoys.pdbqt | data/4H/4HMN-16J/4HMN-16J_decoy_scores.csv |
4HXX-1AY | data/4H/4HXX-1AY/4HXX-1AY_ligand.pdbqt | data/4H/4HXX-1AY/4HXX-1AY_target.pdbqt | data/4H/4HXX-1AY/4HXX-1AY_decoys.pdbqt | data/4H/4HXX-1AY/4HXX-1AY_decoy_scores.csv |
4H2G-ADN | data/4H/4H2G-ADN/4H2G-ADN_ligand.pdbqt | data/4H/4H2G-ADN/4H2G-ADN_target.pdbqt | data/4H/4H2G-ADN/4H2G-ADN_decoys.pdbqt | data/4H/4H2G-ADN/4H2G-ADN_decoy_scores.csv |
4HS9-PE4 | data/4H/4HS9-PE4/4HS9-PE4_ligand.pdbqt | data/4H/4HS9-PE4/4HS9-PE4_target.pdbqt | data/4H/4HS9-PE4/4HS9-PE4_decoys.pdbqt | data/4H/4HS9-PE4/4HS9-PE4_decoy_scores.csv |
4HZM-1BW | data/4H/4HZM-1BW/4HZM-1BW_ligand.pdbqt | data/4H/4HZM-1BW/4HZM-1BW_target.pdbqt | data/4H/4HZM-1BW/4HZM-1BW_decoys.pdbqt | data/4H/4HZM-1BW/4HZM-1BW_decoy_scores.csv |
4HYX-D10 | data/4H/4HYX-D10/4HYX-D10_ligand.pdbqt | data/4H/4HYX-D10/4HYX-D10_target.pdbqt | data/4H/4HYX-D10/4HYX-D10_decoys.pdbqt | data/4H/4HYX-D10/4HYX-D10_decoy_scores.csv |
4H2X-PNS | data/4H/4H2X-PNS/4H2X-PNS_ligand.pdbqt | data/4H/4H2X-PNS/4H2X-PNS_target.pdbqt | data/4H/4H2X-PNS/4H2X-PNS_decoys.pdbqt | data/4H/4H2X-PNS/4H2X-PNS_decoy_scores.csv |
4HKP-TKW | data/4H/4HKP-TKW/4HKP-TKW_ligand.pdbqt | data/4H/4HKP-TKW/4HKP-TKW_target.pdbqt | data/4H/4HKP-TKW/4HKP-TKW_decoys.pdbqt | data/4H/4HKP-TKW/4HKP-TKW_decoy_scores.csv |
4HJU-16L | data/4H/4HJU-16L/4HJU-16L_ligand.pdbqt | data/4H/4HJU-16L/4HJU-16L_target.pdbqt | data/4H/4HJU-16L/4HJU-16L_decoys.pdbqt | data/4H/4HJU-16L/4HJU-16L_decoy_scores.csv |
4HYV-PEP | data/4H/4HYV-PEP/4HYV-PEP_ligand.pdbqt | data/4H/4HYV-PEP/4HYV-PEP_target.pdbqt | data/4H/4HYV-PEP/4HYV-PEP_decoys.pdbqt | data/4H/4HYV-PEP/4HYV-PEP_decoy_scores.csv |
4HGT-15G | data/4H/4HGT-15G/4HGT-15G_ligand.pdbqt | data/4H/4HGT-15G/4HGT-15G_target.pdbqt | data/4H/4HGT-15G/4HGT-15G_decoys.pdbqt | data/4H/4HGT-15G/4HGT-15G_decoy_scores.csv |
4H55-BDR | data/4H/4H55-BDR/4H55-BDR_ligand.pdbqt | data/4H/4H55-BDR/4H55-BDR_target.pdbqt | data/4H/4H55-BDR/4H55-BDR_decoys.pdbqt | data/4H/4H55-BDR/4H55-BDR_decoy_scores.csv |
4HMW-FMN | data/4H/4HMW-FMN/4HMW-FMN_ligand.pdbqt | data/4H/4HMW-FMN/4HMW-FMN_target.pdbqt | data/4H/4HMW-FMN/4HMW-FMN_decoys.pdbqt | data/4H/4HMW-FMN/4HMW-FMN_decoy_scores.csv |
4HXP-1A5 | data/4H/4HXP-1A5/4HXP-1A5_ligand.pdbqt | data/4H/4HXP-1A5/4HXP-1A5_target.pdbqt | data/4H/4HXP-1A5/4HXP-1A5_decoys.pdbqt | data/4H/4HXP-1A5/4HXP-1A5_decoy_scores.csv |
4H0D-ZZ7 | data/4H/4H0D-ZZ7/4H0D-ZZ7_ligand.pdbqt | data/4H/4H0D-ZZ7/4H0D-ZZ7_target.pdbqt | data/4H/4H0D-ZZ7/4H0D-ZZ7_decoys.pdbqt | data/4H/4H0D-ZZ7/4H0D-ZZ7_decoy_scores.csv |
4HPJ-F9F | data/4H/4HPJ-F9F/4HPJ-F9F_ligand.pdbqt | data/4H/4HPJ-F9F/4HPJ-F9F_target.pdbqt | null | null |
4HZ8-BGC | data/4H/4HZ8-BGC/4HZ8-BGC_ligand.pdbqt | data/4H/4HZ8-BGC/4HZ8-BGC_target.pdbqt | data/4H/4HZ8-BGC/4HZ8-BGC_decoys.pdbqt | data/4H/4HZ8-BGC/4HZ8-BGC_decoy_scores.csv |
4HXK-1AJ | data/4H/4HXK-1AJ/4HXK-1AJ_ligand.pdbqt | data/4H/4HXK-1AJ/4HXK-1AJ_target.pdbqt | data/4H/4HXK-1AJ/4HXK-1AJ_decoys.pdbqt | data/4H/4HXK-1AJ/4HXK-1AJ_decoy_scores.csv |
4HGD-KGT | data/4H/4HGD-KGT/4HGD-KGT_ligand.pdbqt | data/4H/4HGD-KGT/4HGD-KGT_target.pdbqt | data/4H/4HGD-KGT/4HGD-KGT_decoys.pdbqt | data/4H/4HGD-KGT/4HGD-KGT_decoy_scores.csv |
4HJM-MPO | data/4H/4HJM-MPO/4HJM-MPO_ligand.pdbqt | data/4H/4HJM-MPO/4HJM-MPO_target.pdbqt | data/4H/4HJM-MPO/4HJM-MPO_decoys.pdbqt | data/4H/4HJM-MPO/4HJM-MPO_decoy_scores.csv |
4HYH-1AM | data/4H/4HYH-1AM/4HYH-1AM_ligand.pdbqt | data/4H/4HYH-1AM/4HYH-1AM_target.pdbqt | data/4H/4HYH-1AM/4HYH-1AM_decoys.pdbqt | data/4H/4HYH-1AM/4HYH-1AM_decoy_scores.csv |
4HMT-NNV | data/4H/4HMT-NNV/4HMT-NNV_ligand.pdbqt | data/4H/4HMT-NNV/4HMT-NNV_target.pdbqt | data/4H/4HMT-NNV/4HMT-NNV_decoys.pdbqt | data/4H/4HMT-NNV/4HMT-NNV_decoy_scores.csv |
4HQV-QEI | data/4H/4HQV-QEI/4HQV-QEI_ligand.pdbqt | data/4H/4HQV-QEI/4HQV-QEI_target.pdbqt | data/4H/4HQV-QEI/4HQV-QEI_decoys.pdbqt | data/4H/4HQV-QEI/4HQV-QEI_decoy_scores.csv |
4HY5-1AQ | data/4H/4HY5-1AQ/4HY5-1AQ_ligand.pdbqt | data/4H/4HY5-1AQ/4HY5-1AQ_target.pdbqt | data/4H/4HY5-1AQ/4HY5-1AQ_decoys.pdbqt | data/4H/4HY5-1AQ/4HY5-1AQ_decoy_scores.csv |
4H0T-ATP | data/4H/4H0T-ATP/4H0T-ATP_ligand.pdbqt | data/4H/4H0T-ATP/4H0T-ATP_target.pdbqt | data/4H/4H0T-ATP/4H0T-ATP_decoys.pdbqt | data/4H/4H0T-ATP/4H0T-ATP_decoy_scores.csv |
4HXW-1A0 | data/4H/4HXW-1A0/4HXW-1A0_ligand.pdbqt | data/4H/4HXW-1A0/4HXW-1A0_target.pdbqt | data/4H/4HXW-1A0/4HXW-1A0_decoys.pdbqt | data/4H/4HXW-1A0/4HXW-1A0_decoy_scores.csv |
4HVX-QEI | data/4H/4HVX-QEI/4HVX-QEI_ligand.pdbqt | data/4H/4HVX-QEI/4HVX-QEI_target.pdbqt | data/4H/4HVX-QEI/4HVX-QEI_decoys.pdbqt | data/4H/4HVX-QEI/4HVX-QEI_decoy_scores.csv |
4H1Y-0YQ | data/4H/4H1Y-0YQ/4H1Y-0YQ_ligand.pdbqt | data/4H/4H1Y-0YQ/4H1Y-0YQ_target.pdbqt | data/4H/4H1Y-0YQ/4H1Y-0YQ_decoys.pdbqt | data/4H/4H1Y-0YQ/4H1Y-0YQ_decoy_scores.csv |
4HAZ-LBF | data/4H/4HAZ-LBF/4HAZ-LBF_ligand.pdbqt | data/4H/4HAZ-LBF/4HAZ-LBF_target.pdbqt | data/4H/4HAZ-LBF/4HAZ-LBF_decoys.pdbqt | data/4H/4HAZ-LBF/4HAZ-LBF_decoy_scores.csv |
4HMZ-18T | data/4H/4HMZ-18T/4HMZ-18T_ligand.pdbqt | data/4H/4HMZ-18T/4HMZ-18T_target.pdbqt | data/4H/4HMZ-18T/4HMZ-18T_decoys.pdbqt | data/4H/4HMZ-18T/4HMZ-18T_decoy_scores.csv |
4HS4-FMN | data/4H/4HS4-FMN/4HS4-FMN_ligand.pdbqt | data/4H/4HS4-FMN/4HS4-FMN_target.pdbqt | data/4H/4HS4-FMN/4HS4-FMN_decoys.pdbqt | data/4H/4HS4-FMN/4HS4-FMN_decoy_scores.csv |
4HWT-1B2 | data/4H/4HWT-1B2/4HWT-1B2_ligand.pdbqt | data/4H/4HWT-1B2/4HWT-1B2_target.pdbqt | data/4H/4HWT-1B2/4HWT-1B2_decoys.pdbqt | data/4H/4HWT-1B2/4HWT-1B2_decoy_scores.csv |
4HM1-1ON | data/4H/4HM1-1ON/4HM1-1ON_ligand.pdbqt | data/4H/4HM1-1ON/4HM1-1ON_target.pdbqt | data/4H/4HM1-1ON/4HM1-1ON_decoys.pdbqt | data/4H/4HM1-1ON/4HM1-1ON_decoy_scores.csv |
4HVD-933 | data/4H/4HVD-933/4HVD-933_ligand.pdbqt | data/4H/4HVD-933/4HVD-933_target.pdbqt | data/4H/4HVD-933/4HVD-933_decoys.pdbqt | data/4H/4HVD-933/4HVD-933_decoy_scores.csv |
4HZT-0ZA | data/4H/4HZT-0ZA/4HZT-0ZA_ligand.pdbqt | data/4H/4HZT-0ZA/4HZT-0ZA_target.pdbqt | data/4H/4HZT-0ZA/4HZT-0ZA_decoys.pdbqt | data/4H/4HZT-0ZA/4HZT-0ZA_decoy_scores.csv |
4HIS-3MI | data/4H/4HIS-3MI/4HIS-3MI_ligand.pdbqt | data/4H/4HIS-3MI/4HIS-3MI_target.pdbqt | data/4H/4HIS-3MI/4HIS-3MI_decoys.pdbqt | data/4H/4HIS-3MI/4HIS-3MI_decoy_scores.csv |
4HHY-15R | data/4H/4HHY-15R/4HHY-15R_ligand.pdbqt | data/4H/4HHY-15R/4HHY-15R_target.pdbqt | data/4H/4HHY-15R/4HHY-15R_decoys.pdbqt | data/4H/4HHY-15R/4HHY-15R_decoy_scores.csv |
4HR6-AMG | data/4H/4HR6-AMG/4HR6-AMG_ligand.pdbqt | data/4H/4HR6-AMG/4HR6-AMG_target.pdbqt | data/4H/4HR6-AMG/4HR6-AMG_decoys.pdbqt | data/4H/4HR6-AMG/4HR6-AMG_decoy_scores.csv |
4HKK-AGI | data/4H/4HKK-AGI/4HKK-AGI_ligand.pdbqt | data/4H/4HKK-AGI/4HKK-AGI_target.pdbqt | data/4H/4HKK-AGI/4HKK-AGI_decoys.pdbqt | data/4H/4HKK-AGI/4HKK-AGI_decoy_scores.csv |
4HFI-PLC | data/4H/4HFI-PLC/4HFI-PLC_ligand.pdbqt | data/4H/4HFI-PLC/4HFI-PLC_target.pdbqt | data/4H/4HFI-PLC/4HFI-PLC_decoys.pdbqt | data/4H/4HFI-PLC/4HFI-PLC_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.