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 ⌀ |
|---|---|---|---|---|
4FCW-ADP | data/4F/4FCW-ADP/4FCW-ADP_ligand.pdbqt | data/4F/4FCW-ADP/4FCW-ADP_target.pdbqt | data/4F/4FCW-ADP/4FCW-ADP_decoys.pdbqt | data/4F/4FCW-ADP/4FCW-ADP_decoy_scores.csv |
4FRA-UDP | data/4F/4FRA-UDP/4FRA-UDP_ligand.pdbqt | data/4F/4FRA-UDP/4FRA-UDP_target.pdbqt | data/4F/4FRA-UDP/4FRA-UDP_decoys.pdbqt | data/4F/4FRA-UDP/4FRA-UDP_decoy_scores.csv |
4FPL-7HV | data/4F/4FPL-7HV/4FPL-7HV_ligand.pdbqt | data/4F/4FPL-7HV/4FPL-7HV_target.pdbqt | data/4F/4FPL-7HV/4FPL-7HV_decoys.pdbqt | data/4F/4FPL-7HV/4FPL-7HV_decoy_scores.csv |
4FH6-TBP | data/4F/4FH6-TBP/4FH6-TBP_ligand.pdbqt | data/4F/4FH6-TBP/4FH6-TBP_target.pdbqt | data/4F/4FH6-TBP/4FH6-TBP_decoys.pdbqt | data/4F/4FH6-TBP/4FH6-TBP_decoy_scores.csv |
4F97-VDO | data/4F/4F97-VDO/4F97-VDO_ligand.pdbqt | data/4F/4F97-VDO/4F97-VDO_target.pdbqt | data/4F/4F97-VDO/4F97-VDO_decoys.pdbqt | data/4F/4F97-VDO/4F97-VDO_decoy_scores.csv |
4FOG-UFP | data/4F/4FOG-UFP/4FOG-UFP_ligand.pdbqt | data/4F/4FOG-UFP/4FOG-UFP_target.pdbqt | data/4F/4FOG-UFP/4FOG-UFP_decoys.pdbqt | data/4F/4FOG-UFP/4FOG-UFP_decoy_scores.csv |
4FW0-5KJ | data/4F/4FW0-5KJ/4FW0-5KJ_ligand.pdbqt | data/4F/4FW0-5KJ/4FW0-5KJ_target.pdbqt | data/4F/4FW0-5KJ/4FW0-5KJ_decoys.pdbqt | data/4F/4FW0-5KJ/4FW0-5KJ_decoy_scores.csv |
4FN2-854 | data/4F/4FN2-854/4FN2-854_ligand.pdbqt | data/4F/4FN2-854/4FN2-854_target.pdbqt | data/4F/4FN2-854/4FN2-854_decoys.pdbqt | data/4F/4FN2-854/4FN2-854_decoy_scores.csv |
4F6T-ATP | data/4F/4F6T-ATP/4F6T-ATP_ligand.pdbqt | data/4F/4F6T-ATP/4F6T-ATP_target.pdbqt | null | null |
4FE3-U5P | data/4F/4FE3-U5P/4FE3-U5P_ligand.pdbqt | data/4F/4FE3-U5P/4FE3-U5P_target.pdbqt | data/4F/4FE3-U5P/4FE3-U5P_decoys.pdbqt | data/4F/4FE3-U5P/4FE3-U5P_decoy_scores.csv |
4F2W-TDI | data/4F/4F2W-TDI/4F2W-TDI_ligand.pdbqt | data/4F/4F2W-TDI/4F2W-TDI_target.pdbqt | data/4F/4F2W-TDI/4F2W-TDI_decoys.pdbqt | data/4F/4F2W-TDI/4F2W-TDI_decoy_scores.csv |
4FZ6-0VG | data/4F/4FZ6-0VG/4FZ6-0VG_ligand.pdbqt | data/4F/4FZ6-0VG/4FZ6-0VG_target.pdbqt | data/4F/4FZ6-0VG/4FZ6-0VG_decoys.pdbqt | data/4F/4FZ6-0VG/4FZ6-0VG_decoy_scores.csv |
4FVX-2KJ | data/4F/4FVX-2KJ/4FVX-2KJ_ligand.pdbqt | data/4F/4FVX-2KJ/4FVX-2KJ_target.pdbqt | data/4F/4FVX-2KJ/4FVX-2KJ_decoys.pdbqt | data/4F/4FVX-2KJ/4FVX-2KJ_decoy_scores.csv |
4F2B-INS | data/4F/4F2B-INS/4F2B-INS_ligand.pdbqt | data/4F/4F2B-INS/4F2B-INS_target.pdbqt | data/4F/4F2B-INS/4F2B-INS_decoys.pdbqt | data/4F/4F2B-INS/4F2B-INS_decoy_scores.csv |
4FTW-3CM | data/4F/4FTW-3CM/4FTW-3CM_ligand.pdbqt | data/4F/4FTW-3CM/4FTW-3CM_target.pdbqt | data/4F/4FTW-3CM/4FTW-3CM_decoys.pdbqt | data/4F/4FTW-3CM/4FTW-3CM_decoy_scores.csv |
4FKI-09K | data/4F/4FKI-09K/4FKI-09K_ligand.pdbqt | data/4F/4FKI-09K/4FKI-09K_target.pdbqt | data/4F/4FKI-09K/4FKI-09K_decoys.pdbqt | data/4F/4FKI-09K/4FKI-09K_decoy_scores.csv |
4FFO-0TK | data/4F/4FFO-0TK/4FFO-0TK_ligand.pdbqt | data/4F/4FFO-0TK/4FFO-0TK_target.pdbqt | data/4F/4FFO-0TK/4FFO-0TK_decoys.pdbqt | data/4F/4FFO-0TK/4FFO-0TK_decoy_scores.csv |
4FEU-KAN | data/4F/4FEU-KAN/4FEU-KAN_ligand.pdbqt | data/4F/4FEU-KAN/4FEU-KAN_target.pdbqt | data/4F/4FEU-KAN/4FEU-KAN_decoys.pdbqt | data/4F/4FEU-KAN/4FEU-KAN_decoy_scores.csv |
4FGC-PE4 | data/4F/4FGC-PE4/4FGC-PE4_ligand.pdbqt | data/4F/4FGC-PE4/4FGC-PE4_target.pdbqt | data/4F/4FGC-PE4/4FGC-PE4_decoys.pdbqt | data/4F/4FGC-PE4/4FGC-PE4_decoy_scores.csv |
4FU0-ADP | data/4F/4FU0-ADP/4FU0-ADP_ligand.pdbqt | data/4F/4FU0-ADP/4FU0-ADP_target.pdbqt | data/4F/4FU0-ADP/4FU0-ADP_decoys.pdbqt | data/4F/4FU0-ADP/4FU0-ADP_decoy_scores.csv |
4FI8-0UC | data/4F/4FI8-0UC/4FI8-0UC_ligand.pdbqt | data/4F/4FI8-0UC/4FI8-0UC_target.pdbqt | data/4F/4FI8-0UC/4FI8-0UC_decoys.pdbqt | data/4F/4FI8-0UC/4FI8-0UC_decoy_scores.csv |
4FPH-0V7 | data/4F/4FPH-0V7/4FPH-0V7_ligand.pdbqt | data/4F/4FPH-0V7/4FPH-0V7_target.pdbqt | data/4F/4FPH-0V7/4FPH-0V7_decoys.pdbqt | data/4F/4FPH-0V7/4FPH-0V7_decoy_scores.csv |
4FNN-STE | data/4F/4FNN-STE/4FNN-STE_ligand.pdbqt | data/4F/4FNN-STE/4FNN-STE_target.pdbqt | data/4F/4FNN-STE/4FNN-STE_decoys.pdbqt | data/4F/4FNN-STE/4FNN-STE_decoy_scores.csv |
4FRE-UDP | data/4F/4FRE-UDP/4FRE-UDP_ligand.pdbqt | data/4F/4FRE-UDP/4FRE-UDP_target.pdbqt | data/4F/4FRE-UDP/4FRE-UDP_decoys.pdbqt | data/4F/4FRE-UDP/4FRE-UDP_decoy_scores.csv |
4FOG-C2F | data/4F/4FOG-C2F/4FOG-C2F_ligand.pdbqt | data/4F/4FOG-C2F/4FOG-C2F_target.pdbqt | data/4F/4FOG-C2F/4FOG-C2F_decoys.pdbqt | data/4F/4FOG-C2F/4FOG-C2F_decoy_scores.csv |
4FLP-JQ1 | data/4F/4FLP-JQ1/4FLP-JQ1_ligand.pdbqt | data/4F/4FLP-JQ1/4FLP-JQ1_target.pdbqt | data/4F/4FLP-JQ1/4FLP-JQ1_decoys.pdbqt | data/4F/4FLP-JQ1/4FLP-JQ1_decoy_scores.csv |
4FRL-UDP | data/4F/4FRL-UDP/4FRL-UDP_ligand.pdbqt | data/4F/4FRL-UDP/4FRL-UDP_target.pdbqt | data/4F/4FRL-UDP/4FRL-UDP_decoys.pdbqt | data/4F/4FRL-UDP/4FRL-UDP_decoy_scores.csv |
4F6W-0SS | data/4F/4F6W-0SS/4F6W-0SS_ligand.pdbqt | data/4F/4F6W-0SS/4F6W-0SS_target.pdbqt | data/4F/4F6W-0SS/4F6W-0SS_decoys.pdbqt | data/4F/4F6W-0SS/4F6W-0SS_decoy_scores.csv |
4FPA-BGC | data/4F/4FPA-BGC/4FPA-BGC_ligand.pdbqt | data/4F/4FPA-BGC/4FPA-BGC_target.pdbqt | data/4F/4FPA-BGC/4FPA-BGC_decoys.pdbqt | data/4F/4FPA-BGC/4FPA-BGC_decoy_scores.csv |
4F06-PHB | data/4F/4F06-PHB/4F06-PHB_ligand.pdbqt | data/4F/4F06-PHB/4F06-PHB_target.pdbqt | data/4F/4F06-PHB/4F06-PHB_decoys.pdbqt | data/4F/4F06-PHB/4F06-PHB_decoy_scores.csv |
4FUX-E75 | data/4F/4FUX-E75/4FUX-E75_ligand.pdbqt | data/4F/4FUX-E75/4FUX-E75_target.pdbqt | data/4F/4FUX-E75/4FUX-E75_decoys.pdbqt | data/4F/4FUX-E75/4FUX-E75_decoy_scores.csv |
4FHV-CTP | data/4F/4FHV-CTP/4FHV-CTP_ligand.pdbqt | data/4F/4FHV-CTP/4FHV-CTP_target.pdbqt | data/4F/4FHV-CTP/4FHV-CTP_decoys.pdbqt | data/4F/4FHV-CTP/4FHV-CTP_decoy_scores.csv |
4FKW-62K | data/4F/4FKW-62K/4FKW-62K_ligand.pdbqt | data/4F/4FKW-62K/4FKW-62K_target.pdbqt | data/4F/4FKW-62K/4FKW-62K_decoys.pdbqt | data/4F/4FKW-62K/4FKW-62K_decoy_scores.csv |
4F6V-ZYM | data/4F/4F6V-ZYM/4F6V-ZYM_ligand.pdbqt | data/4F/4F6V-ZYM/4F6V-ZYM_target.pdbqt | data/4F/4F6V-ZYM/4F6V-ZYM_decoys.pdbqt | data/4F/4F6V-ZYM/4F6V-ZYM_decoy_scores.csv |
4FRQ-UDP | data/4F/4FRQ-UDP/4FRQ-UDP_ligand.pdbqt | data/4F/4FRQ-UDP/4FRQ-UDP_target.pdbqt | data/4F/4FRQ-UDP/4FRQ-UDP_decoys.pdbqt | data/4F/4FRQ-UDP/4FRQ-UDP_decoy_scores.csv |
4FOJ-C2E | data/4F/4FOJ-C2E/4FOJ-C2E_ligand.pdbqt | data/4F/4FOJ-C2E/4FOJ-C2E_target.pdbqt | data/4F/4FOJ-C2E/4FOJ-C2E_decoys.pdbqt | data/4F/4FOJ-C2E/4FOJ-C2E_decoy_scores.csv |
4FL1-ANP | data/4F/4FL1-ANP/4FL1-ANP_ligand.pdbqt | data/4F/4FL1-ANP/4FL1-ANP_target.pdbqt | data/4F/4FL1-ANP/4FL1-ANP_decoys.pdbqt | data/4F/4FL1-ANP/4FL1-ANP_decoy_scores.csv |
4FM8-0UQ | data/4F/4FM8-0UQ/4FM8-0UQ_ligand.pdbqt | data/4F/4FM8-0UQ/4FM8-0UQ_target.pdbqt | data/4F/4FM8-0UQ/4FM8-0UQ_decoys.pdbqt | data/4F/4FM8-0UQ/4FM8-0UQ_decoy_scores.csv |
4FQW-GAL | data/4F/4FQW-GAL/4FQW-GAL_ligand.pdbqt | data/4F/4FQW-GAL/4FQW-GAL_target.pdbqt | data/4F/4FQW-GAL/4FQW-GAL_decoys.pdbqt | data/4F/4FQW-GAL/4FQW-GAL_decoy_scores.csv |
4FRE-GAL | data/4F/4FRE-GAL/4FRE-GAL_ligand.pdbqt | data/4F/4FRE-GAL/4FRE-GAL_target.pdbqt | data/4F/4FRE-GAL/4FRE-GAL_decoys.pdbqt | data/4F/4FRE-GAL/4FRE-GAL_decoy_scores.csv |
4FFN-ATP | data/4F/4FFN-ATP/4FFN-ATP_ligand.pdbqt | data/4F/4FFN-ATP/4FFN-ATP_target.pdbqt | data/4F/4FFN-ATP/4FFN-ATP_decoys.pdbqt | data/4F/4FFN-ATP/4FFN-ATP_decoy_scores.csv |
4FJ1-GEN | data/4F/4FJ1-GEN/4FJ1-GEN_ligand.pdbqt | data/4F/4FJ1-GEN/4FJ1-GEN_target.pdbqt | data/4F/4FJ1-GEN/4FJ1-GEN_decoys.pdbqt | data/4F/4FJ1-GEN/4FJ1-GEN_decoy_scores.csv |
4FH5-UTP | data/4F/4FH5-UTP/4FH5-UTP_ligand.pdbqt | data/4F/4FH5-UTP/4FH5-UTP_target.pdbqt | data/4F/4FH5-UTP/4FH5-UTP_decoys.pdbqt | data/4F/4FH5-UTP/4FH5-UTP_decoy_scores.csv |
4FTC-H6K | data/4F/4FTC-H6K/4FTC-H6K_ligand.pdbqt | data/4F/4FTC-H6K/4FTC-H6K_target.pdbqt | data/4F/4FTC-H6K/4FTC-H6K_decoys.pdbqt | data/4F/4FTC-H6K/4FTC-H6K_decoy_scores.csv |
4FQF-NAD | data/4F/4FQF-NAD/4FQF-NAD_ligand.pdbqt | data/4F/4FQF-NAD/4FQF-NAD_target.pdbqt | data/4F/4FQF-NAD/4FQF-NAD_decoys.pdbqt | data/4F/4FQF-NAD/4FQF-NAD_decoy_scores.csv |
4FKJ-11K | data/4F/4FKJ-11K/4FKJ-11K_ligand.pdbqt | data/4F/4FKJ-11K/4FKJ-11K_target.pdbqt | data/4F/4FKJ-11K/4FKJ-11K_decoys.pdbqt | data/4F/4FKJ-11K/4FKJ-11K_decoy_scores.csv |
4FIA-0U9 | data/4F/4FIA-0U9/4FIA-0U9_ligand.pdbqt | data/4F/4FIA-0U9/4FIA-0U9_target.pdbqt | data/4F/4FIA-0U9/4FIA-0U9_decoys.pdbqt | data/4F/4FIA-0U9/4FIA-0U9_decoy_scores.csv |
4FGL-CLQ | data/4F/4FGL-CLQ/4FGL-CLQ_ligand.pdbqt | data/4F/4FGL-CLQ/4FGL-CLQ_target.pdbqt | data/4F/4FGL-CLQ/4FGL-CLQ_decoys.pdbqt | data/4F/4FGL-CLQ/4FGL-CLQ_decoy_scores.csv |
4FO4-MOA | data/4F/4FO4-MOA/4FO4-MOA_ligand.pdbqt | data/4F/4FO4-MOA/4FO4-MOA_target.pdbqt | data/4F/4FO4-MOA/4FO4-MOA_decoys.pdbqt | data/4F/4FO4-MOA/4FO4-MOA_decoy_scores.csv |
4FI6-0U7 | data/4F/4FI6-0U7/4FI6-0U7_ligand.pdbqt | data/4F/4FI6-0U7/4FI6-0U7_target.pdbqt | data/4F/4FI6-0U7/4FI6-0U7_decoys.pdbqt | data/4F/4FI6-0U7/4FI6-0U7_decoy_scores.csv |
4FMX-CNL | data/4F/4FMX-CNL/4FMX-CNL_ligand.pdbqt | data/4F/4FMX-CNL/4FMX-CNL_target.pdbqt | data/4F/4FMX-CNL/4FMX-CNL_decoys.pdbqt | data/4F/4FMX-CNL/4FMX-CNL_decoy_scores.csv |
4FRO-GAL | data/4F/4FRO-GAL/4FRO-GAL_ligand.pdbqt | data/4F/4FRO-GAL/4FRO-GAL_target.pdbqt | data/4F/4FRO-GAL/4FRO-GAL_decoys.pdbqt | data/4F/4FRO-GAL/4FRO-GAL_decoy_scores.csv |
4FVR-ATP | data/4F/4FVR-ATP/4FVR-ATP_ligand.pdbqt | data/4F/4FVR-ATP/4FVR-ATP_target.pdbqt | data/4F/4FVR-ATP/4FVR-ATP_decoys.pdbqt | data/4F/4FVR-ATP/4FVR-ATP_decoy_scores.csv |
4FQO-AZ3 | data/4F/4FQO-AZ3/4FQO-AZ3_ligand.pdbqt | data/4F/4FQO-AZ3/4FQO-AZ3_target.pdbqt | data/4F/4FQO-AZ3/4FQO-AZ3_decoys.pdbqt | data/4F/4FQO-AZ3/4FQO-AZ3_decoy_scores.csv |
4FRI-DWA | data/4F/4FRI-DWA/4FRI-DWA_ligand.pdbqt | data/4F/4FRI-DWA/4FRI-DWA_target.pdbqt | data/4F/4FRI-DWA/4FRI-DWA_decoys.pdbqt | data/4F/4FRI-DWA/4FRI-DWA_decoy_scores.csv |
4FSA-0V3 | data/4F/4FSA-0V3/4FSA-0V3_ligand.pdbqt | data/4F/4FSA-0V3/4FSA-0V3_target.pdbqt | data/4F/4FSA-0V3/4FSA-0V3_decoys.pdbqt | data/4F/4FSA-0V3/4FSA-0V3_decoy_scores.csv |
4FUI-UI3 | data/4F/4FUI-UI3/4FUI-UI3_ligand.pdbqt | data/4F/4FUI-UI3/4FUI-UI3_target.pdbqt | data/4F/4FUI-UI3/4FUI-UI3_decoys.pdbqt | data/4F/4FUI-UI3/4FUI-UI3_decoy_scores.csv |
4FHT-DHB | data/4F/4FHT-DHB/4FHT-DHB_ligand.pdbqt | data/4F/4FHT-DHB/4FHT-DHB_target.pdbqt | data/4F/4FHT-DHB/4FHT-DHB_decoys.pdbqt | data/4F/4FHT-DHB/4FHT-DHB_decoy_scores.csv |
4FGZ-CQA | data/4F/4FGZ-CQA/4FGZ-CQA_ligand.pdbqt | data/4F/4FGZ-CQA/4FGZ-CQA_target.pdbqt | data/4F/4FGZ-CQA/4FGZ-CQA_decoys.pdbqt | data/4F/4FGZ-CQA/4FGZ-CQA_decoy_scores.csv |
4FBH-AMP | data/4F/4FBH-AMP/4FBH-AMP_ligand.pdbqt | data/4F/4FBH-AMP/4FBH-AMP_target.pdbqt | data/4F/4FBH-AMP/4FBH-AMP_decoys.pdbqt | data/4F/4FBH-AMP/4FBH-AMP_decoy_scores.csv |
4FWP-GDP | data/4F/4FWP-GDP/4FWP-GDP_ligand.pdbqt | data/4F/4FWP-GDP/4FWP-GDP_target.pdbqt | data/4F/4FWP-GDP/4FWP-GDP_decoys.pdbqt | data/4F/4FWP-GDP/4FWP-GDP_decoy_scores.csv |
4FRA-GAL | data/4F/4FRA-GAL/4FRA-GAL_ligand.pdbqt | data/4F/4FRA-GAL/4FRA-GAL_target.pdbqt | data/4F/4FRA-GAL/4FRA-GAL_decoys.pdbqt | data/4F/4FRA-GAL/4FRA-GAL_decoy_scores.csv |
4F6V-FJP | data/4F/4F6V-FJP/4F6V-FJP_ligand.pdbqt | data/4F/4F6V-FJP/4F6V-FJP_target.pdbqt | data/4F/4F6V-FJP/4F6V-FJP_decoys.pdbqt | data/4F/4F6V-FJP/4F6V-FJP_decoy_scores.csv |
4FI7-0UA | data/4F/4FI7-0UA/4FI7-0UA_ligand.pdbqt | data/4F/4FI7-0UA/4FI7-0UA_target.pdbqt | data/4F/4FI7-0UA/4FI7-0UA_decoys.pdbqt | data/4F/4FI7-0UA/4FI7-0UA_decoy_scores.csv |
4FKU-60K | data/4F/4FKU-60K/4FKU-60K_ligand.pdbqt | data/4F/4FKU-60K/4FKU-60K_target.pdbqt | data/4F/4FKU-60K/4FKU-60K_decoys.pdbqt | data/4F/4FKU-60K/4FKU-60K_decoy_scores.csv |
4FRD-GAL | data/4F/4FRD-GAL/4FRD-GAL_ligand.pdbqt | data/4F/4FRD-GAL/4FRD-GAL_target.pdbqt | data/4F/4FRD-GAL/4FRD-GAL_decoys.pdbqt | data/4F/4FRD-GAL/4FRD-GAL_decoy_scores.csv |
4F1Y-CNI | data/4F/4F1Y-CNI/4F1Y-CNI_ligand.pdbqt | data/4F/4F1Y-CNI/4F1Y-CNI_target.pdbqt | data/4F/4F1Y-CNI/4F1Y-CNI_decoys.pdbqt | data/4F/4F1Y-CNI/4F1Y-CNI_decoy_scores.csv |
4FRU-ME2 | data/4F/4FRU-ME2/4FRU-ME2_ligand.pdbqt | data/4F/4FRU-ME2/4FRU-ME2_target.pdbqt | data/4F/4FRU-ME2/4FRU-ME2_decoys.pdbqt | data/4F/4FRU-ME2/4FRU-ME2_decoy_scores.csv |
4F1T-H52 | data/4F/4F1T-H52/4F1T-H52_ligand.pdbqt | data/4F/4F1T-H52/4F1T-H52_target.pdbqt | data/4F/4F1T-H52/4F1T-H52_decoys.pdbqt | data/4F/4F1T-H52/4F1T-H52_decoy_scores.csv |
4FH2-0RN | data/4F/4FH2-0RN/4FH2-0RN_ligand.pdbqt | data/4F/4FH2-0RN/4FH2-0RN_target.pdbqt | data/4F/4FH2-0RN/4FH2-0RN_decoys.pdbqt | data/4F/4FH2-0RN/4FH2-0RN_decoy_scores.csv |
4F29-QUS | data/4F/4F29-QUS/4F29-QUS_ligand.pdbqt | data/4F/4F29-QUS/4F29-QUS_target.pdbqt | data/4F/4F29-QUS/4F29-QUS_decoys.pdbqt | data/4F/4F29-QUS/4F29-QUS_decoy_scores.csv |
4FA2-SB0 | data/4F/4FA2-SB0/4FA2-SB0_ligand.pdbqt | data/4F/4FA2-SB0/4FA2-SB0_target.pdbqt | data/4F/4FA2-SB0/4FA2-SB0_decoys.pdbqt | data/4F/4FA2-SB0/4FA2-SB0_decoy_scores.csv |
4FG9-ATP | data/4F/4FG9-ATP/4FG9-ATP_ligand.pdbqt | data/4F/4FG9-ATP/4FG9-ATP_target.pdbqt | data/4F/4FG9-ATP/4FG9-ATP_decoys.pdbqt | data/4F/4FG9-ATP/4FG9-ATP_decoy_scores.csv |
4FD8-MA4 | data/4F/4FD8-MA4/4FD8-MA4_ligand.pdbqt | data/4F/4FD8-MA4/4FD8-MA4_target.pdbqt | data/4F/4FD8-MA4/4FD8-MA4_decoys.pdbqt | data/4F/4FD8-MA4/4FD8-MA4_decoy_scores.csv |
4FLK-Y10 | data/4F/4FLK-Y10/4FLK-Y10_ligand.pdbqt | data/4F/4FLK-Y10/4FLK-Y10_target.pdbqt | data/4F/4FLK-Y10/4FLK-Y10_decoys.pdbqt | data/4F/4FLK-Y10/4FLK-Y10_decoy_scores.csv |
4F44-MNB | data/4F/4F44-MNB/4F44-MNB_ligand.pdbqt | data/4F/4F44-MNB/4F44-MNB_target.pdbqt | data/4F/4F44-MNB/4F44-MNB_decoys.pdbqt | data/4F/4F44-MNB/4F44-MNB_decoy_scores.csv |
4FN4-NAD | data/4F/4FN4-NAD/4FN4-NAD_ligand.pdbqt | data/4F/4FN4-NAD/4FN4-NAD_target.pdbqt | data/4F/4FN4-NAD/4FN4-NAD_decoys.pdbqt | data/4F/4FN4-NAD/4FN4-NAD_decoy_scores.csv |
4FJ2-QSO | data/4F/4FJ2-QSO/4FJ2-QSO_ligand.pdbqt | data/4F/4FJ2-QSO/4FJ2-QSO_target.pdbqt | data/4F/4FJ2-QSO/4FJ2-QSO_decoys.pdbqt | data/4F/4FJ2-QSO/4FJ2-QSO_decoy_scores.csv |
4FKL-CK2 | data/4F/4FKL-CK2/4FKL-CK2_ligand.pdbqt | data/4F/4FKL-CK2/4FKL-CK2_target.pdbqt | data/4F/4FKL-CK2/4FKL-CK2_decoys.pdbqt | data/4F/4FKL-CK2/4FKL-CK2_decoy_scores.csv |
4FPS-0UX | data/4F/4FPS-0UX/4FPS-0UX_ligand.pdbqt | data/4F/4FPS-0UX/4FPS-0UX_target.pdbqt | data/4F/4FPS-0UX/4FPS-0UX_decoys.pdbqt | data/4F/4FPS-0UX/4FPS-0UX_decoy_scores.csv |
4F3C-BIG | data/4F/4F3C-BIG/4F3C-BIG_ligand.pdbqt | data/4F/4F3C-BIG/4F3C-BIG_target.pdbqt | data/4F/4F3C-BIG/4F3C-BIG_decoys.pdbqt | data/4F/4F3C-BIG/4F3C-BIG_decoy_scores.csv |
4FHD-0TT | data/4F/4FHD-0TT/4FHD-0TT_ligand.pdbqt | data/4F/4FHD-0TT/4FHD-0TT_target.pdbqt | data/4F/4FHD-0TT/4FHD-0TT_decoys.pdbqt | data/4F/4FHD-0TT/4FHD-0TT_decoy_scores.csv |
4FOV-CXS | data/4F/4FOV-CXS/4FOV-CXS_ligand.pdbqt | data/4F/4FOV-CXS/4FOV-CXS_target.pdbqt | data/4F/4FOV-CXS/4FOV-CXS_decoys.pdbqt | data/4F/4FOV-CXS/4FOV-CXS_decoy_scores.csv |
4FKP-LS5 | data/4F/4FKP-LS5/4FKP-LS5_ligand.pdbqt | data/4F/4FKP-LS5/4FKP-LS5_target.pdbqt | data/4F/4FKP-LS5/4FKP-LS5_decoys.pdbqt | data/4F/4FKP-LS5/4FKP-LS5_decoy_scores.csv |
4F2P-2EL | data/4F/4F2P-2EL/4F2P-2EL_ligand.pdbqt | data/4F/4F2P-2EL/4F2P-2EL_target.pdbqt | data/4F/4F2P-2EL/4F2P-2EL_decoys.pdbqt | data/4F/4F2P-2EL/4F2P-2EL_decoy_scores.csv |
4FRP-GAL | data/4F/4FRP-GAL/4FRP-GAL_ligand.pdbqt | data/4F/4FRP-GAL/4FRP-GAL_target.pdbqt | data/4F/4FRP-GAL/4FRP-GAL_decoys.pdbqt | data/4F/4FRP-GAL/4FRP-GAL_decoy_scores.csv |
4FW7-L63 | data/4F/4FW7-L63/4FW7-L63_ligand.pdbqt | data/4F/4FW7-L63/4FW7-L63_target.pdbqt | data/4F/4FW7-L63/4FW7-L63_decoys.pdbqt | data/4F/4FW7-L63/4FW7-L63_decoy_scores.csv |
4F66-BG6 | data/4F/4F66-BG6/4F66-BG6_ligand.pdbqt | data/4F/4F66-BG6/4F66-BG6_target.pdbqt | data/4F/4F66-BG6/4F66-BG6_decoys.pdbqt | data/4F/4F66-BG6/4F66-BG6_decoy_scores.csv |
4FXQ-G9L | data/4F/4FXQ-G9L/4FXQ-G9L_ligand.pdbqt | data/4F/4FXQ-G9L/4FXQ-G9L_target.pdbqt | data/4F/4FXQ-G9L/4FXQ-G9L_decoys.pdbqt | data/4F/4FXQ-G9L/4FXQ-G9L_decoy_scores.csv |
4FA2-GG5 | data/4F/4FA2-GG5/4FA2-GG5_ligand.pdbqt | data/4F/4FA2-GG5/4FA2-GG5_target.pdbqt | data/4F/4FA2-GG5/4FA2-GG5_decoys.pdbqt | data/4F/4FA2-GG5/4FA2-GG5_decoy_scores.csv |
4FYO-0VF | data/4F/4FYO-0VF/4FYO-0VF_ligand.pdbqt | data/4F/4FYO-0VF/4FYO-0VF_target.pdbqt | data/4F/4FYO-0VF/4FYO-0VF_decoys.pdbqt | data/4F/4FYO-0VF/4FYO-0VF_decoy_scores.csv |
4FCD-0T6 | data/4F/4FCD-0T6/4FCD-0T6_ligand.pdbqt | data/4F/4FCD-0T6/4FCD-0T6_target.pdbqt | data/4F/4FCD-0T6/4FCD-0T6_decoys.pdbqt | data/4F/4FCD-0T6/4FCD-0T6_decoy_scores.csv |
4F97-GDP | data/4F/4F97-GDP/4F97-GDP_ligand.pdbqt | data/4F/4F97-GDP/4F97-GDP_target.pdbqt | data/4F/4F97-GDP/4F97-GDP_decoys.pdbqt | data/4F/4F97-GDP/4F97-GDP_decoy_scores.csv |
4FUY-EK2 | data/4F/4FUY-EK2/4FUY-EK2_ligand.pdbqt | data/4F/4FUY-EK2/4FUY-EK2_target.pdbqt | data/4F/4FUY-EK2/4FUY-EK2_decoys.pdbqt | data/4F/4FUY-EK2/4FUY-EK2_decoy_scores.csv |
4FWE-FLC | data/4F/4FWE-FLC/4FWE-FLC_ligand.pdbqt | data/4F/4FWE-FLC/4FWE-FLC_target.pdbqt | data/4F/4FWE-FLC/4FWE-FLC_decoys.pdbqt | data/4F/4FWE-FLC/4FWE-FLC_decoy_scores.csv |
4FS4-H24 | data/4F/4FS4-H24/4FS4-H24_ligand.pdbqt | data/4F/4FS4-H24/4FS4-H24_target.pdbqt | data/4F/4FS4-H24/4FS4-H24_decoys.pdbqt | data/4F/4FS4-H24/4FS4-H24_decoy_scores.csv |
4FM7-0UP | data/4F/4FM7-0UP/4FM7-0UP_ligand.pdbqt | data/4F/4FM7-0UP/4FM7-0UP_target.pdbqt | data/4F/4FM7-0UP/4FM7-0UP_decoys.pdbqt | data/4F/4FM7-0UP/4FM7-0UP_decoy_scores.csv |
4F0T-CYC | data/4F/4F0T-CYC/4F0T-CYC_ligand.pdbqt | data/4F/4F0T-CYC/4F0T-CYC_target.pdbqt | data/4F/4F0T-CYC/4F0T-CYC_decoys.pdbqt | data/4F/4F0T-CYC/4F0T-CYC_decoy_scores.csv |
4FV4-EK7 | data/4F/4FV4-EK7/4FV4-EK7_ligand.pdbqt | data/4F/4FV4-EK7/4FV4-EK7_target.pdbqt | data/4F/4FV4-EK7/4FV4-EK7_decoys.pdbqt | data/4F/4FV4-EK7/4FV4-EK7_decoy_scores.csv |
4F7I-IPM | data/4F/4F7I-IPM/4F7I-IPM_ligand.pdbqt | data/4F/4F7I-IPM/4F7I-IPM_target.pdbqt | data/4F/4F7I-IPM/4F7I-IPM_decoys.pdbqt | data/4F/4F7I-IPM/4F7I-IPM_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.