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 ⌀ |
|---|---|---|---|---|
5G5G-MCN | data/5G/5G5G-MCN/5G5G-MCN_ligand.pdbqt | data/5G/5G5G-MCN/5G5G-MCN_target.pdbqt | null | null |
5G46-6VD | data/5G/5G46-6VD/5G46-6VD_ligand.pdbqt | data/5G/5G46-6VD/5G46-6VD_target.pdbqt | data/5G/5G46-6VD/5G46-6VD_decoys.pdbqt | data/5G/5G46-6VD/5G46-6VD_decoy_scores.csv |
5GQI-ATP | data/5G/5GQI-ATP/5GQI-ATP_ligand.pdbqt | data/5G/5GQI-ATP/5GQI-ATP_target.pdbqt | data/5G/5GQI-ATP/5GQI-ATP_decoys.pdbqt | data/5G/5GQI-ATP/5GQI-ATP_decoy_scores.csv |
5GHQ-6U4 | data/5G/5GHQ-6U4/5GHQ-6U4_ligand.pdbqt | data/5G/5GHQ-6U4/5GHQ-6U4_target.pdbqt | data/5G/5GHQ-6U4/5GHQ-6U4_decoys.pdbqt | data/5G/5GHQ-6U4/5GHQ-6U4_decoy_scores.csv |
5GHF-PMP | data/5G/5GHF-PMP/5GHF-PMP_ligand.pdbqt | data/5G/5GHF-PMP/5GHF-PMP_target.pdbqt | data/5G/5GHF-PMP/5GHF-PMP_decoys.pdbqt | data/5G/5GHF-PMP/5GHF-PMP_decoy_scores.csv |
5GQL-CTP | data/5G/5GQL-CTP/5GQL-CTP_ligand.pdbqt | data/5G/5GQL-CTP/5GQL-CTP_target.pdbqt | data/5G/5GQL-CTP/5GQL-CTP_decoys.pdbqt | data/5G/5GQL-CTP/5GQL-CTP_decoy_scores.csv |
5G5H-MCN | data/5G/5G5H-MCN/5G5H-MCN_ligand.pdbqt | data/5G/5G5H-MCN/5G5H-MCN_target.pdbqt | null | null |
5G18-AZR | data/5G/5G18-AZR/5G18-AZR_ligand.pdbqt | data/5G/5G18-AZR/5G18-AZR_target.pdbqt | data/5G/5G18-AZR/5G18-AZR_decoys.pdbqt | data/5G/5G18-AZR/5G18-AZR_decoy_scores.csv |
5G6L-H4B | data/5G/5G6L-H4B/5G6L-H4B_ligand.pdbqt | data/5G/5G6L-H4B/5G6L-H4B_target.pdbqt | data/5G/5G6L-H4B/5G6L-H4B_decoys.pdbqt | data/5G/5G6L-H4B/5G6L-H4B_decoy_scores.csv |
5G6O-8VJ | data/5G/5G6O-8VJ/5G6O-8VJ_ligand.pdbqt | data/5G/5G6O-8VJ/5G6O-8VJ_target.pdbqt | data/5G/5G6O-8VJ/5G6O-8VJ_decoys.pdbqt | data/5G/5G6O-8VJ/5G6O-8VJ_decoy_scores.csv |
5G68-BTB | data/5G/5G68-BTB/5G68-BTB_ligand.pdbqt | data/5G/5G68-BTB/5G68-BTB_target.pdbqt | data/5G/5G68-BTB/5G68-BTB_decoys.pdbqt | data/5G/5G68-BTB/5G68-BTB_decoy_scores.csv |
5G3J-CPS | data/5G/5G3J-CPS/5G3J-CPS_ligand.pdbqt | data/5G/5G3J-CPS/5G3J-CPS_target.pdbqt | data/5G/5G3J-CPS/5G3J-CPS_decoys.pdbqt | data/5G/5G3J-CPS/5G3J-CPS_decoy_scores.csv |
5G5W-R8C | data/5G/5G5W-R8C/5G5W-R8C_ligand.pdbqt | data/5G/5G5W-R8C/5G5W-R8C_target.pdbqt | data/5G/5G5W-R8C/5G5W-R8C_decoys.pdbqt | data/5G/5G5W-R8C/5G5W-R8C_decoy_scores.csv |
5GGA-G8D | data/5G/5GGA-G8D/5GGA-G8D_ligand.pdbqt | data/5G/5GGA-G8D/5GGA-G8D_target.pdbqt | data/5G/5GGA-G8D/5GGA-G8D_decoys.pdbqt | data/5G/5GGA-G8D/5GGA-G8D_decoy_scores.csv |
5G0U-9CV | data/5G/5G0U-9CV/5G0U-9CV_ligand.pdbqt | data/5G/5G0U-9CV/5G0U-9CV_target.pdbqt | data/5G/5G0U-9CV/5G0U-9CV_decoys.pdbqt | data/5G/5G0U-9CV/5G0U-9CV_decoy_scores.csv |
5G1A-7H1 | data/5G/5G1A-7H1/5G1A-7H1_ligand.pdbqt | data/5G/5G1A-7H1/5G1A-7H1_target.pdbqt | data/5G/5G1A-7H1/5G1A-7H1_decoys.pdbqt | data/5G/5G1A-7H1/5G1A-7H1_decoy_scores.csv |
5GGB-8GD | data/5G/5GGB-8GD/5GGB-8GD_ligand.pdbqt | data/5G/5GGB-8GD/5GGB-8GD_target.pdbqt | data/5G/5GGB-8GD/5GGB-8GD_decoys.pdbqt | data/5G/5GGB-8GD/5GGB-8GD_decoy_scores.csv |
5GP9-PLM | data/5G/5GP9-PLM/5GP9-PLM_ligand.pdbqt | data/5G/5GP9-PLM/5GP9-PLM_target.pdbqt | data/5G/5GP9-PLM/5GP9-PLM_decoys.pdbqt | data/5G/5GP9-PLM/5GP9-PLM_decoy_scores.csv |
5G68-H4B | data/5G/5G68-H4B/5G68-H4B_ligand.pdbqt | data/5G/5G68-H4B/5G68-H4B_target.pdbqt | data/5G/5G68-H4B/5G68-H4B_decoys.pdbqt | data/5G/5G68-H4B/5G68-H4B_decoy_scores.csv |
5G6D-H4B | data/5G/5G6D-H4B/5G6D-H4B_ligand.pdbqt | data/5G/5G6D-H4B/5G6D-H4B_target.pdbqt | data/5G/5G6D-H4B/5G6D-H4B_decoys.pdbqt | data/5G/5G6D-H4B/5G6D-H4B_decoy_scores.csv |
5G57-6M5 | data/5G/5G57-6M5/5G57-6M5_ligand.pdbqt | data/5G/5G57-6M5/5G57-6M5_target.pdbqt | data/5G/5G57-6M5/5G57-6M5_decoys.pdbqt | data/5G/5G57-6M5/5G57-6M5_decoy_scores.csv |
5G6A-H4B | data/5G/5G6A-H4B/5G6A-H4B_ligand.pdbqt | data/5G/5G6A-H4B/5G6A-H4B_target.pdbqt | data/5G/5G6A-H4B/5G6A-H4B_decoys.pdbqt | data/5G/5G6A-H4B/5G6A-H4B_decoy_scores.csv |
5G3Y-ADP | data/5G/5G3Y-ADP/5G3Y-ADP_ligand.pdbqt | data/5G/5G3Y-ADP/5G3Y-ADP_target.pdbqt | data/5G/5G3Y-ADP/5G3Y-ADP_decoys.pdbqt | data/5G/5G3Y-ADP/5G3Y-ADP_decoy_scores.csv |
5GME-ADP | data/5G/5GME-ADP/5GME-ADP_ligand.pdbqt | data/5G/5GME-ADP/5GME-ADP_target.pdbqt | data/5G/5GME-ADP/5GME-ADP_decoys.pdbqt | data/5G/5GME-ADP/5GME-ADP_decoy_scores.csv |
5GTO-T35 | data/5G/5GTO-T35/5GTO-T35_ligand.pdbqt | data/5G/5GTO-T35/5GTO-T35_target.pdbqt | data/5G/5GTO-T35/5GTO-T35_decoys.pdbqt | data/5G/5GTO-T35/5GTO-T35_decoy_scores.csv |
5G01-OE2 | data/5G/5G01-OE2/5G01-OE2_ligand.pdbqt | data/5G/5G01-OE2/5G01-OE2_target.pdbqt | data/5G/5G01-OE2/5G01-OE2_decoys.pdbqt | data/5G/5G01-OE2/5G01-OE2_decoy_scores.csv |
5GGK-MBE | data/5G/5GGK-MBE/5GGK-MBE_ligand.pdbqt | data/5G/5GGK-MBE/5GGK-MBE_target.pdbqt | data/5G/5GGK-MBE/5GGK-MBE_decoys.pdbqt | data/5G/5GGK-MBE/5GGK-MBE_decoy_scores.csv |
5G54-OLA | data/5G/5G54-OLA/5G54-OLA_ligand.pdbqt | data/5G/5G54-OLA/5G54-OLA_target.pdbqt | data/5G/5G54-OLA/5G54-OLA_decoys.pdbqt | data/5G/5G54-OLA/5G54-OLA_decoy_scores.csv |
5G6S-RAU | data/5G/5G6S-RAU/5G6S-RAU_ligand.pdbqt | data/5G/5G6S-RAU/5G6S-RAU_target.pdbqt | data/5G/5G6S-RAU/5G6S-RAU_decoys.pdbqt | data/5G/5G6S-RAU/5G6S-RAU_decoy_scores.csv |
5G6V-919 | data/5G/5G6V-919/5G6V-919_ligand.pdbqt | data/5G/5G6V-919/5G6V-919_target.pdbqt | data/5G/5G6V-919/5G6V-919_decoys.pdbqt | data/5G/5G6V-919/5G6V-919_decoy_scores.csv |
5GTN-Q35 | data/5G/5GTN-Q35/5GTN-Q35_ligand.pdbqt | data/5G/5GTN-Q35/5GTN-Q35_target.pdbqt | data/5G/5GTN-Q35/5GTN-Q35_decoys.pdbqt | data/5G/5GTN-Q35/5GTN-Q35_decoy_scores.csv |
5G54-RET | data/5G/5G54-RET/5G54-RET_ligand.pdbqt | data/5G/5G54-RET/5G54-RET_target.pdbqt | data/5G/5G54-RET/5G54-RET_decoys.pdbqt | data/5G/5G54-RET/5G54-RET_decoy_scores.csv |
5GSP-3GP | data/5G/5GSP-3GP/5GSP-3GP_ligand.pdbqt | data/5G/5GSP-3GP/5GSP-3GP_target.pdbqt | data/5G/5GSP-3GP/5GSP-3GP_decoys.pdbqt | data/5G/5GSP-3GP/5GSP-3GP_decoy_scores.csv |
5GG7-8OG | data/5G/5GG7-8OG/5GG7-8OG_ligand.pdbqt | data/5G/5GG7-8OG/5GG7-8OG_target.pdbqt | data/5G/5GG7-8OG/5GG7-8OG_decoys.pdbqt | data/5G/5GG7-8OG/5GG7-8OG_decoy_scores.csv |
5G0O-W64 | data/5G/5G0O-W64/5G0O-W64_ligand.pdbqt | data/5G/5G0O-W64/5G0O-W64_target.pdbqt | data/5G/5G0O-W64/5G0O-W64_decoys.pdbqt | data/5G/5G0O-W64/5G0O-W64_decoy_scores.csv |
5G6H-M85 | data/5G/5G6H-M85/5G6H-M85_ligand.pdbqt | data/5G/5G6H-M85/5G6H-M85_target.pdbqt | data/5G/5G6H-M85/5G6H-M85_decoys.pdbqt | data/5G/5G6H-M85/5G6H-M85_decoy_scores.csv |
5GG6-8DG | data/5G/5GG6-8DG/5GG6-8DG_ligand.pdbqt | data/5G/5GG6-8DG/5GG6-8DG_target.pdbqt | data/5G/5GG6-8DG/5GG6-8DG_decoys.pdbqt | data/5G/5GG6-8DG/5GG6-8DG_decoy_scores.csv |
5GLI-OLA | data/5G/5GLI-OLA/5GLI-OLA_ligand.pdbqt | data/5G/5GLI-OLA/5GLI-OLA_target.pdbqt | data/5G/5GLI-OLA/5GLI-OLA_decoys.pdbqt | data/5G/5GLI-OLA/5GLI-OLA_decoy_scores.csv |
5G09-6DF | data/5G/5G09-6DF/5G09-6DF_ligand.pdbqt | data/5G/5G09-6DF/5G09-6DF_target.pdbqt | data/5G/5G09-6DF/5G09-6DF_decoys.pdbqt | data/5G/5G09-6DF/5G09-6DF_decoy_scores.csv |
5GVN-G6F | data/5G/5GVN-G6F/5GVN-G6F_ligand.pdbqt | data/5G/5GVN-G6F/5GVN-G6F_target.pdbqt | data/5G/5GVN-G6F/5GVN-G6F_decoys.pdbqt | data/5G/5GVN-G6F/5GVN-G6F_decoy_scores.csv |
5G6U-SGN | data/5G/5G6U-SGN/5G6U-SGN_ligand.pdbqt | data/5G/5G6U-SGN/5G6U-SGN_target.pdbqt | null | null |
5GM8-SFG | data/5G/5GM8-SFG/5GM8-SFG_ligand.pdbqt | data/5G/5GM8-SFG/5GM8-SFG_target.pdbqt | data/5G/5GM8-SFG/5GM8-SFG_decoys.pdbqt | data/5G/5GM8-SFG/5GM8-SFG_decoy_scores.csv |
5G6P-8VJ | data/5G/5G6P-8VJ/5G6P-8VJ_ligand.pdbqt | data/5G/5G6P-8VJ/5G6P-8VJ_target.pdbqt | data/5G/5G6P-8VJ/5G6P-8VJ_decoys.pdbqt | data/5G/5G6P-8VJ/5G6P-8VJ_decoy_scores.csv |
5G1F-PML | data/5G/5G1F-PML/5G1F-PML_ligand.pdbqt | data/5G/5G1F-PML/5G1F-PML_target.pdbqt | data/5G/5G1F-PML/5G1F-PML_decoys.pdbqt | data/5G/5G1F-PML/5G1F-PML_decoy_scores.csv |
5G6I-M85 | data/5G/5G6I-M85/5G6I-M85_ligand.pdbqt | data/5G/5G6I-M85/5G6I-M85_target.pdbqt | data/5G/5G6I-M85/5G6I-M85_decoys.pdbqt | data/5G/5G6I-M85/5G6I-M85_decoy_scores.csv |
5G48-1FL | data/5G/5G48-1FL/5G48-1FL_ligand.pdbqt | data/5G/5G48-1FL/5G48-1FL_target.pdbqt | data/5G/5G48-1FL/5G48-1FL_decoys.pdbqt | data/5G/5G48-1FL/5G48-1FL_decoy_scores.csv |
5GMD-AMP | data/5G/5GMD-AMP/5GMD-AMP_ligand.pdbqt | data/5G/5GMD-AMP/5GMD-AMP_target.pdbqt | data/5G/5GMD-AMP/5GMD-AMP_decoys.pdbqt | data/5G/5GMD-AMP/5GMD-AMP_decoy_scores.csv |
5GSA-73K | data/5G/5GSA-73K/5GSA-73K_ligand.pdbqt | data/5G/5GSA-73K/5GSA-73K_target.pdbqt | data/5G/5GSA-73K/5GSA-73K_decoys.pdbqt | data/5G/5GSA-73K/5GSA-73K_decoy_scores.csv |
5G6J-M94 | data/5G/5G6J-M94/5G6J-M94_ligand.pdbqt | data/5G/5G6J-M94/5G6J-M94_target.pdbqt | data/5G/5G6J-M94/5G6J-M94_decoys.pdbqt | data/5G/5G6J-M94/5G6J-M94_decoy_scores.csv |
5G4Q-2HQ | data/5G/5G4Q-2HQ/5G4Q-2HQ_ligand.pdbqt | data/5G/5G4Q-2HQ/5G4Q-2HQ_target.pdbqt | data/5G/5G4Q-2HQ/5G4Q-2HQ_decoys.pdbqt | data/5G/5G4Q-2HQ/5G4Q-2HQ_decoy_scores.csv |
5G6B-M48 | data/5G/5G6B-M48/5G6B-M48_ligand.pdbqt | data/5G/5G6B-M48/5G6B-M48_target.pdbqt | data/5G/5G6B-M48/5G6B-M48_decoys.pdbqt | data/5G/5G6B-M48/5G6B-M48_decoy_scores.csv |
5G4C-CNA | data/5G/5G4C-CNA/5G4C-CNA_ligand.pdbqt | data/5G/5G4C-CNA/5G4C-CNA_target.pdbqt | data/5G/5G4C-CNA/5G4C-CNA_decoys.pdbqt | data/5G/5G4C-CNA/5G4C-CNA_decoy_scores.csv |
5GSM-GCS | data/5G/5GSM-GCS/5GSM-GCS_ligand.pdbqt | data/5G/5GSM-GCS/5GSM-GCS_target.pdbqt | data/5G/5GSM-GCS/5GSM-GCS_decoys.pdbqt | data/5G/5GSM-GCS/5GSM-GCS_decoy_scores.csv |
5G0V-NAD | data/5G/5G0V-NAD/5G0V-NAD_ligand.pdbqt | data/5G/5G0V-NAD/5G0V-NAD_target.pdbqt | data/5G/5G0V-NAD/5G0V-NAD_decoys.pdbqt | data/5G/5G0V-NAD/5G0V-NAD_decoy_scores.csv |
5GMD-AGS | data/5G/5GMD-AGS/5GMD-AGS_ligand.pdbqt | data/5G/5GMD-AGS/5GMD-AGS_target.pdbqt | data/5G/5GMD-AGS/5GMD-AGS_decoys.pdbqt | data/5G/5GMD-AGS/5GMD-AGS_decoy_scores.csv |
5G40-ADP | data/5G/5G40-ADP/5G40-ADP_ligand.pdbqt | data/5G/5G40-ADP/5G40-ADP_target.pdbqt | data/5G/5G40-ADP/5G40-ADP_decoys.pdbqt | data/5G/5G40-ADP/5G40-ADP_decoy_scores.csv |
5GG9-8GT | data/5G/5GG9-8GT/5GG9-8GT_ligand.pdbqt | data/5G/5GG9-8GT/5GG9-8GT_target.pdbqt | data/5G/5GG9-8GT/5GG9-8GT_decoys.pdbqt | data/5G/5GG9-8GT/5GG9-8GT_decoy_scores.csv |
5G0V-JDD | data/5G/5G0V-JDD/5G0V-JDD_ligand.pdbqt | data/5G/5G0V-JDD/5G0V-JDD_target.pdbqt | data/5G/5G0V-JDD/5G0V-JDD_decoys.pdbqt | data/5G/5G0V-JDD/5G0V-JDD_decoy_scores.csv |
5G69-M7K | data/5G/5G69-M7K/5G69-M7K_ligand.pdbqt | data/5G/5G69-M7K/5G69-M7K_target.pdbqt | data/5G/5G69-M7K/5G69-M7K_decoys.pdbqt | data/5G/5G69-M7K/5G69-M7K_decoy_scores.csv |
5GVM-PLG | data/5G/5GVM-PLG/5GVM-PLG_ligand.pdbqt | data/5G/5GVM-PLG/5GVM-PLG_target.pdbqt | data/5G/5GVM-PLG/5GVM-PLG_decoys.pdbqt | data/5G/5GVM-PLG/5GVM-PLG_decoy_scores.csv |
5G40-AMP | data/5G/5G40-AMP/5G40-AMP_ligand.pdbqt | data/5G/5G40-AMP/5G40-AMP_target.pdbqt | data/5G/5G40-AMP/5G40-AMP_decoys.pdbqt | data/5G/5G40-AMP/5G40-AMP_decoy_scores.csv |
5G22-YN4 | data/5G/5G22-YN4/5G22-YN4_ligand.pdbqt | data/5G/5G22-YN4/5G22-YN4_target.pdbqt | data/5G/5G22-YN4/5G22-YN4_decoys.pdbqt | data/5G/5G22-YN4/5G22-YN4_decoy_scores.csv |
5GY7-NAD | data/5G/5GY7-NAD/5GY7-NAD_ligand.pdbqt | data/5G/5GY7-NAD/5GY7-NAD_target.pdbqt | data/5G/5GY7-NAD/5GY7-NAD_decoys.pdbqt | data/5G/5GY7-NAD/5GY7-NAD_decoy_scores.csv |
5GWW-7B5 | data/5G/5GWW-7B5/5GWW-7B5_ligand.pdbqt | data/5G/5GWW-7B5/5GWW-7B5_target.pdbqt | data/5G/5GWW-7B5/5GWW-7B5_decoys.pdbqt | data/5G/5GWW-7B5/5GWW-7B5_decoy_scores.csv |
5G15-ACP | data/5G/5G15-ACP/5G15-ACP_ligand.pdbqt | data/5G/5G15-ACP/5G15-ACP_target.pdbqt | data/5G/5G15-ACP/5G15-ACP_decoys.pdbqt | data/5G/5G15-ACP/5G15-ACP_decoy_scores.csv |
5GY7-UDP | data/5G/5GY7-UDP/5GY7-UDP_ligand.pdbqt | data/5G/5GY7-UDP/5GY7-UDP_target.pdbqt | data/5G/5GY7-UDP/5GY7-UDP_decoys.pdbqt | data/5G/5GY7-UDP/5GY7-UDP_decoy_scores.csv |
5GI7-54W | data/5G/5GI7-54W/5GI7-54W_ligand.pdbqt | data/5G/5GI7-54W/5GI7-54W_target.pdbqt | data/5G/5GI7-54W/5GI7-54W_decoys.pdbqt | data/5G/5GI7-54W/5GI7-54W_decoy_scores.csv |
5G0S-NAD | data/5G/5G0S-NAD/5G0S-NAD_ligand.pdbqt | data/5G/5G0S-NAD/5G0S-NAD_target.pdbqt | data/5G/5G0S-NAD/5G0S-NAD_decoys.pdbqt | data/5G/5G0S-NAD/5G0S-NAD_decoy_scores.csv |
5G5V-8Z4 | data/5G/5G5V-8Z4/5G5V-8Z4_ligand.pdbqt | data/5G/5G5V-8Z4/5G5V-8Z4_target.pdbqt | data/5G/5G5V-8Z4/5G5V-8Z4_decoys.pdbqt | data/5G/5G5V-8Z4/5G5V-8Z4_decoy_scores.csv |
5GZZ-JAA | data/5G/5GZZ-JAA/5GZZ-JAA_ligand.pdbqt | data/5G/5GZZ-JAA/5GZZ-JAA_target.pdbqt | data/5G/5GZZ-JAA/5GZZ-JAA_decoys.pdbqt | data/5G/5GZZ-JAA/5GZZ-JAA_decoy_scores.csv |
5G6F-2SN | data/5G/5G6F-2SN/5G6F-2SN_ligand.pdbqt | data/5G/5G6F-2SN/5G6F-2SN_target.pdbqt | data/5G/5G6F-2SN/5G6F-2SN_decoys.pdbqt | data/5G/5G6F-2SN/5G6F-2SN_decoy_scores.csv |
5GWS-NAD | data/5G/5GWS-NAD/5GWS-NAD_ligand.pdbqt | data/5G/5GWS-NAD/5GWS-NAD_target.pdbqt | data/5G/5GWS-NAD/5GWS-NAD_decoys.pdbqt | data/5G/5GWS-NAD/5GWS-NAD_decoy_scores.csv |
5G6N-BTB | data/5G/5G6N-BTB/5G6N-BTB_ligand.pdbqt | data/5G/5G6N-BTB/5G6N-BTB_target.pdbqt | data/5G/5G6N-BTB/5G6N-BTB_decoys.pdbqt | data/5G/5G6N-BTB/5G6N-BTB_decoy_scores.csv |
5GGZ-6TN | data/5G/5GGZ-6TN/5GGZ-6TN_ligand.pdbqt | data/5G/5GGZ-6TN/5GGZ-6TN_target.pdbqt | data/5G/5GGZ-6TN/5GGZ-6TN_decoys.pdbqt | data/5G/5GGZ-6TN/5GGZ-6TN_decoy_scores.csv |
1FVI-AMP | data/1F/1FVI-AMP/1FVI-AMP_ligand.pdbqt | data/1F/1FVI-AMP/1FVI-AMP_target.pdbqt | data/1F/1FVI-AMP/1FVI-AMP_decoys.pdbqt | data/1F/1FVI-AMP/1FVI-AMP_decoy_scores.csv |
1FAO-4IP | data/1F/1FAO-4IP/1FAO-4IP_ligand.pdbqt | data/1F/1FAO-4IP/1FAO-4IP_target.pdbqt | data/1F/1FAO-4IP/1FAO-4IP_decoys.pdbqt | data/1F/1FAO-4IP/1FAO-4IP_decoy_scores.csv |
1F5A-3PO | data/1F/1F5A-3PO/1F5A-3PO_ligand.pdbqt | data/1F/1F5A-3PO/1F5A-3PO_target.pdbqt | data/1F/1F5A-3PO/1F5A-3PO_decoys.pdbqt | data/1F/1F5A-3PO/1F5A-3PO_decoy_scores.csv |
1F99-CYC | data/1F/1F99-CYC/1F99-CYC_ligand.pdbqt | data/1F/1F99-CYC/1F99-CYC_target.pdbqt | data/1F/1F99-CYC/1F99-CYC_decoys.pdbqt | data/1F/1F99-CYC/1F99-CYC_decoy_scores.csv |
1F50-SQU | data/1F/1F50-SQU/1F50-SQU_ligand.pdbqt | data/1F/1F50-SQU/1F50-SQU_target.pdbqt | data/1F/1F50-SQU/1F50-SQU_decoys.pdbqt | data/1F/1F50-SQU/1F50-SQU_decoy_scores.csv |
1F73-HMN | data/1F/1F73-HMN/1F73-HMN_ligand.pdbqt | data/1F/1F73-HMN/1F73-HMN_target.pdbqt | data/1F/1F73-HMN/1F73-HMN_decoys.pdbqt | data/1F/1F73-HMN/1F73-HMN_decoy_scores.csv |
1FWW-A5P | data/1F/1FWW-A5P/1FWW-A5P_ligand.pdbqt | data/1F/1FWW-A5P/1FWW-A5P_target.pdbqt | data/1F/1FWW-A5P/1FWW-A5P_decoys.pdbqt | data/1F/1FWW-A5P/1FWW-A5P_decoy_scores.csv |
1FNZ-A2G | data/1F/1FNZ-A2G/1FNZ-A2G_ligand.pdbqt | data/1F/1FNZ-A2G/1FNZ-A2G_target.pdbqt | data/1F/1FNZ-A2G/1FNZ-A2G_decoys.pdbqt | data/1F/1FNZ-A2G/1FNZ-A2G_decoy_scores.csv |
1FK6-LNL | data/1F/1FK6-LNL/1FK6-LNL_ligand.pdbqt | data/1F/1FK6-LNL/1FK6-LNL_target.pdbqt | data/1F/1FK6-LNL/1FK6-LNL_decoys.pdbqt | data/1F/1FK6-LNL/1FK6-LNL_decoy_scores.csv |
1FBY-9CR | data/1F/1FBY-9CR/1FBY-9CR_ligand.pdbqt | data/1F/1FBY-9CR/1FBY-9CR_target.pdbqt | data/1F/1FBY-9CR/1FBY-9CR_decoys.pdbqt | data/1F/1FBY-9CR/1FBY-9CR_decoy_scores.csv |
1FIN-ATP | data/1F/1FIN-ATP/1FIN-ATP_ligand.pdbqt | data/1F/1FIN-ATP/1FIN-ATP_target.pdbqt | data/1F/1FIN-ATP/1FIN-ATP_decoys.pdbqt | data/1F/1FIN-ATP/1FIN-ATP_decoy_scores.csv |
1FPI-AHG | data/1F/1FPI-AHG/1FPI-AHG_ligand.pdbqt | data/1F/1FPI-AHG/1FPI-AHG_target.pdbqt | data/1F/1FPI-AHG/1FPI-AHG_decoys.pdbqt | data/1F/1FPI-AHG/1FPI-AHG_decoy_scores.csv |
1FM9-570 | data/1F/1FM9-570/1FM9-570_ligand.pdbqt | data/1F/1FM9-570/1FM9-570_target.pdbqt | data/1F/1FM9-570/1FM9-570_decoys.pdbqt | data/1F/1FM9-570/1FM9-570_decoy_scores.csv |
1FHD-XIM | data/1F/1FHD-XIM/1FHD-XIM_ligand.pdbqt | data/1F/1FHD-XIM/1FHD-XIM_target.pdbqt | data/1F/1FHD-XIM/1FHD-XIM_decoys.pdbqt | data/1F/1FHD-XIM/1FHD-XIM_decoy_scores.csv |
1F4G-TP4 | data/1F/1F4G-TP4/1F4G-TP4_ligand.pdbqt | data/1F/1F4G-TP4/1F4G-TP4_target.pdbqt | data/1F/1F4G-TP4/1F4G-TP4_decoys.pdbqt | data/1F/1F4G-TP4/1F4G-TP4_decoy_scores.csv |
1F9G-ASC | data/1F/1F9G-ASC/1F9G-ASC_ligand.pdbqt | data/1F/1F9G-ASC/1F9G-ASC_target.pdbqt | data/1F/1F9G-ASC/1F9G-ASC_decoys.pdbqt | data/1F/1F9G-ASC/1F9G-ASC_decoy_scores.csv |
1FNN-ADP | data/1F/1FNN-ADP/1FNN-ADP_ligand.pdbqt | data/1F/1FNN-ADP/1FNN-ADP_target.pdbqt | data/1F/1FNN-ADP/1FNN-ADP_decoys.pdbqt | data/1F/1FNN-ADP/1FNN-ADP_decoy_scores.csv |
1FXQ-PEP | data/1F/1FXQ-PEP/1FXQ-PEP_ligand.pdbqt | data/1F/1FXQ-PEP/1FXQ-PEP_target.pdbqt | data/1F/1FXQ-PEP/1FXQ-PEP_decoys.pdbqt | data/1F/1FXQ-PEP/1FXQ-PEP_decoy_scores.csv |
1F8F-NAD | data/1F/1F8F-NAD/1F8F-NAD_ligand.pdbqt | data/1F/1F8F-NAD/1F8F-NAD_target.pdbqt | data/1F/1F8F-NAD/1F8F-NAD_decoys.pdbqt | data/1F/1F8F-NAD/1F8F-NAD_decoy_scores.csv |
1F0L-APU | data/1F/1F0L-APU/1F0L-APU_ligand.pdbqt | data/1F/1F0L-APU/1F0L-APU_target.pdbqt | data/1F/1F0L-APU/1F0L-APU_decoys.pdbqt | data/1F/1F0L-APU/1F0L-APU_decoy_scores.csv |
1FEM-REA | data/1F/1FEM-REA/1FEM-REA_ligand.pdbqt | data/1F/1FEM-REA/1FEM-REA_target.pdbqt | data/1F/1FEM-REA/1FEM-REA_decoys.pdbqt | data/1F/1FEM-REA/1FEM-REA_decoy_scores.csv |
1FNC-A2P | data/1F/1FNC-A2P/1FNC-A2P_ligand.pdbqt | data/1F/1FNC-A2P/1FNC-A2P_target.pdbqt | data/1F/1FNC-A2P/1FNC-A2P_decoys.pdbqt | data/1F/1FNC-A2P/1FNC-A2P_decoy_scores.csv |
1F8G-NAD | data/1F/1F8G-NAD/1F8G-NAD_ligand.pdbqt | data/1F/1F8G-NAD/1F8G-NAD_target.pdbqt | data/1F/1F8G-NAD/1F8G-NAD_decoys.pdbqt | data/1F/1F8G-NAD/1F8G-NAD_decoy_scores.csv |
1FIQ-MTE | data/1F/1FIQ-MTE/1FIQ-MTE_ligand.pdbqt | data/1F/1FIQ-MTE/1FIQ-MTE_target.pdbqt | null | null |
1FZZ-681 | data/1F/1FZZ-681/1FZZ-681_ligand.pdbqt | data/1F/1FZZ-681/1FZZ-681_target.pdbqt | data/1F/1FZZ-681/1FZZ-681_decoys.pdbqt | data/1F/1FZZ-681/1FZZ-681_decoy_scores.csv |
1FJ9-AMP | data/1F/1FJ9-AMP/1FJ9-AMP_ligand.pdbqt | data/1F/1FJ9-AMP/1FJ9-AMP_target.pdbqt | data/1F/1FJ9-AMP/1FJ9-AMP_decoys.pdbqt | data/1F/1FJ9-AMP/1FJ9-AMP_decoy_scores.csv |
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