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 ⌀ |
|---|---|---|---|---|
5AO7-AH0 | data/5A/5AO7-AH0/5AO7-AH0_ligand.pdbqt | data/5A/5AO7-AH0/5AO7-AH0_target.pdbqt | data/5A/5AO7-AH0/5AO7-AH0_decoys.pdbqt | data/5A/5AO7-AH0/5AO7-AH0_decoy_scores.csv |
5AB3-2ER | data/5A/5AB3-2ER/5AB3-2ER_ligand.pdbqt | data/5A/5AB3-2ER/5AB3-2ER_target.pdbqt | data/5A/5AB3-2ER/5AB3-2ER_decoys.pdbqt | data/5A/5AB3-2ER/5AB3-2ER_decoy_scores.csv |
5ACK-SVQ | data/5A/5ACK-SVQ/5ACK-SVQ_ligand.pdbqt | data/5A/5ACK-SVQ/5ACK-SVQ_target.pdbqt | data/5A/5ACK-SVQ/5ACK-SVQ_decoys.pdbqt | data/5A/5ACK-SVQ/5ACK-SVQ_decoy_scores.csv |
5AQG-ZJB | data/5A/5AQG-ZJB/5AQG-ZJB_ligand.pdbqt | data/5A/5AQG-ZJB/5AQG-ZJB_target.pdbqt | data/5A/5AQG-ZJB/5AQG-ZJB_decoys.pdbqt | data/5A/5AQG-ZJB/5AQG-ZJB_decoy_scores.csv |
5A5S-NP8 | data/5A/5A5S-NP8/5A5S-NP8_ligand.pdbqt | data/5A/5A5S-NP8/5A5S-NP8_target.pdbqt | data/5A/5A5S-NP8/5A5S-NP8_decoys.pdbqt | data/5A/5A5S-NP8/5A5S-NP8_decoy_scores.csv |
5ANS-RX8 | data/5A/5ANS-RX8/5ANS-RX8_ligand.pdbqt | data/5A/5ANS-RX8/5ANS-RX8_target.pdbqt | data/5A/5ANS-RX8/5ANS-RX8_decoys.pdbqt | data/5A/5ANS-RX8/5ANS-RX8_decoy_scores.csv |
5AAA-VGH | data/5A/5AAA-VGH/5AAA-VGH_ligand.pdbqt | data/5A/5AAA-VGH/5AAA-VGH_target.pdbqt | data/5A/5AAA-VGH/5AAA-VGH_decoys.pdbqt | data/5A/5AAA-VGH/5AAA-VGH_decoy_scores.csv |
5AG6-5PE | data/5A/5AG6-5PE/5AG6-5PE_ligand.pdbqt | data/5A/5AG6-5PE/5AG6-5PE_target.pdbqt | data/5A/5AG6-5PE/5AG6-5PE_decoys.pdbqt | data/5A/5AG6-5PE/5AG6-5PE_decoy_scores.csv |
5A8E-OLC | data/5A/5A8E-OLC/5A8E-OLC_ligand.pdbqt | data/5A/5A8E-OLC/5A8E-OLC_target.pdbqt | data/5A/5A8E-OLC/5A8E-OLC_decoys.pdbqt | data/5A/5A8E-OLC/5A8E-OLC_decoy_scores.csv |
5AUV-AGI | data/5A/5AUV-AGI/5AUV-AGI_ligand.pdbqt | data/5A/5AUV-AGI/5AUV-AGI_target.pdbqt | data/5A/5AUV-AGI/5AUV-AGI_decoys.pdbqt | data/5A/5AUV-AGI/5AUV-AGI_decoy_scores.csv |
5AKZ-6NX | data/5A/5AKZ-6NX/5AKZ-6NX_ligand.pdbqt | data/5A/5AKZ-6NX/5AKZ-6NX_target.pdbqt | data/5A/5AKZ-6NX/5AKZ-6NX_decoys.pdbqt | data/5A/5AKZ-6NX/5AKZ-6NX_decoy_scores.csv |
5AO9-PE8 | data/5A/5AO9-PE8/5AO9-PE8_ligand.pdbqt | data/5A/5AO9-PE8/5AO9-PE8_target.pdbqt | data/5A/5AO9-PE8/5AO9-PE8_decoys.pdbqt | data/5A/5AO9-PE8/5AO9-PE8_decoy_scores.csv |
5ADV-EHS | data/5A/5ADV-EHS/5ADV-EHS_ligand.pdbqt | data/5A/5ADV-EHS/5ADV-EHS_target.pdbqt | data/5A/5ADV-EHS/5ADV-EHS_decoys.pdbqt | data/5A/5ADV-EHS/5ADV-EHS_decoy_scores.csv |
5AC2-K9P | data/5A/5AC2-K9P/5AC2-K9P_ligand.pdbqt | data/5A/5AC2-K9P/5AC2-K9P_target.pdbqt | null | null |
5AJG-LBV | data/5A/5AJG-LBV/5AJG-LBV_ligand.pdbqt | data/5A/5AJG-LBV/5AJG-LBV_target.pdbqt | data/5A/5AJG-LBV/5AJG-LBV_decoys.pdbqt | data/5A/5AJG-LBV/5AJG-LBV_decoy_scores.csv |
5A3W-PD2 | data/5A/5A3W-PD2/5A3W-PD2_ligand.pdbqt | data/5A/5A3W-PD2/5A3W-PD2_target.pdbqt | data/5A/5A3W-PD2/5A3W-PD2_decoys.pdbqt | data/5A/5A3W-PD2/5A3W-PD2_decoy_scores.csv |
5ALC-TIQ | data/5A/5ALC-TIQ/5ALC-TIQ_ligand.pdbqt | data/5A/5ALC-TIQ/5ALC-TIQ_target.pdbqt | data/5A/5ALC-TIQ/5ALC-TIQ_decoys.pdbqt | data/5A/5ALC-TIQ/5ALC-TIQ_decoy_scores.csv |
5AXP-4LK | data/5A/5AXP-4LK/5AXP-4LK_ligand.pdbqt | data/5A/5AXP-4LK/5AXP-4LK_target.pdbqt | data/5A/5AXP-4LK/5AXP-4LK_decoys.pdbqt | data/5A/5AXP-4LK/5AXP-4LK_decoy_scores.csv |
5ACC-KE9 | data/5A/5ACC-KE9/5ACC-KE9_ligand.pdbqt | data/5A/5ACC-KE9/5ACC-KE9_target.pdbqt | data/5A/5ACC-KE9/5ACC-KE9_decoys.pdbqt | data/5A/5ACC-KE9/5ACC-KE9_decoy_scores.csv |
5AC0-K9P | data/5A/5AC0-K9P/5AC0-K9P_ligand.pdbqt | data/5A/5AC0-K9P/5AC0-K9P_target.pdbqt | data/5A/5AC0-K9P/5AC0-K9P_decoys.pdbqt | data/5A/5AC0-K9P/5AC0-K9P_decoy_scores.csv |
5AHC-VXL | data/5A/5AHC-VXL/5AHC-VXL_ligand.pdbqt | data/5A/5AHC-VXL/5AHC-VXL_target.pdbqt | data/5A/5AHC-VXL/5AHC-VXL_decoys.pdbqt | data/5A/5AHC-VXL/5AHC-VXL_decoy_scores.csv |
5ALF-OE1 | data/5A/5ALF-OE1/5ALF-OE1_ligand.pdbqt | data/5A/5ALF-OE1/5ALF-OE1_target.pdbqt | data/5A/5ALF-OE1/5ALF-OE1_decoys.pdbqt | data/5A/5ALF-OE1/5ALF-OE1_decoy_scores.csv |
5AQO-CWS | data/5A/5AQO-CWS/5AQO-CWS_ligand.pdbqt | data/5A/5AQO-CWS/5AQO-CWS_target.pdbqt | data/5A/5AQO-CWS/5AQO-CWS_decoys.pdbqt | data/5A/5AQO-CWS/5AQO-CWS_decoy_scores.csv |
5AYT-L6Y | data/5A/5AYT-L6Y/5AYT-L6Y_ligand.pdbqt | data/5A/5AYT-L6Y/5AYT-L6Y_target.pdbqt | data/5A/5AYT-L6Y/5AYT-L6Y_decoys.pdbqt | data/5A/5AYT-L6Y/5AYT-L6Y_decoy_scores.csv |
5AC4-NGA | data/5A/5AC4-NGA/5AC4-NGA_ligand.pdbqt | data/5A/5AC4-NGA/5AC4-NGA_target.pdbqt | data/5A/5AC4-NGA/5AC4-NGA_decoys.pdbqt | data/5A/5AC4-NGA/5AC4-NGA_decoy_scores.csv |
5A61-3PO | data/5A/5A61-3PO/5A61-3PO_ligand.pdbqt | data/5A/5A61-3PO/5A61-3PO_target.pdbqt | data/5A/5A61-3PO/5A61-3PO_decoys.pdbqt | data/5A/5A61-3PO/5A61-3PO_decoy_scores.csv |
5A83-YD3 | data/5A/5A83-YD3/5A83-YD3_ligand.pdbqt | data/5A/5A83-YD3/5A83-YD3_target.pdbqt | data/5A/5A83-YD3/5A83-YD3_decoys.pdbqt | data/5A/5A83-YD3/5A83-YD3_decoy_scores.csv |
5A9T-YLG | data/5A/5A9T-YLG/5A9T-YLG_ligand.pdbqt | data/5A/5A9T-YLG/5A9T-YLG_target.pdbqt | data/5A/5A9T-YLG/5A9T-YLG_decoys.pdbqt | data/5A/5A9T-YLG/5A9T-YLG_decoy_scores.csv |
5A8A-FMN | data/5A/5A8A-FMN/5A8A-FMN_ligand.pdbqt | data/5A/5A8A-FMN/5A8A-FMN_target.pdbqt | data/5A/5A8A-FMN/5A8A-FMN_decoys.pdbqt | data/5A/5A8A-FMN/5A8A-FMN_decoy_scores.csv |
5A0F-NDG | data/5A/5A0F-NDG/5A0F-NDG_ligand.pdbqt | data/5A/5A0F-NDG/5A0F-NDG_target.pdbqt | data/5A/5A0F-NDG/5A0F-NDG_decoys.pdbqt | data/5A/5A0F-NDG/5A0F-NDG_decoy_scores.csv |
5AWV-N1L | data/5A/5AWV-N1L/5AWV-N1L_ligand.pdbqt | data/5A/5AWV-N1L/5AWV-N1L_target.pdbqt | data/5A/5AWV-N1L/5AWV-N1L_decoys.pdbqt | data/5A/5AWV-N1L/5AWV-N1L_decoy_scores.csv |
5A0F-GDP | data/5A/5A0F-GDP/5A0F-GDP_ligand.pdbqt | data/5A/5A0F-GDP/5A0F-GDP_target.pdbqt | data/5A/5A0F-GDP/5A0F-GDP_decoys.pdbqt | data/5A/5A0F-GDP/5A0F-GDP_decoy_scores.csv |
5AD2-ETU | data/5A/5AD2-ETU/5AD2-ETU_ligand.pdbqt | data/5A/5AD2-ETU/5AD2-ETU_target.pdbqt | data/5A/5AD2-ETU/5AD2-ETU_decoys.pdbqt | data/5A/5AD2-ETU/5AD2-ETU_decoy_scores.csv |
5AI9-K78 | data/5A/5AI9-K78/5AI9-K78_ligand.pdbqt | data/5A/5AI9-K78/5AI9-K78_target.pdbqt | data/5A/5AI9-K78/5AI9-K78_decoys.pdbqt | data/5A/5AI9-K78/5AI9-K78_decoy_scores.csv |
5A3O-DH6 | data/5A/5A3O-DH6/5A3O-DH6_ligand.pdbqt | data/5A/5A3O-DH6/5A3O-DH6_target.pdbqt | data/5A/5A3O-DH6/5A3O-DH6_decoys.pdbqt | data/5A/5A3O-DH6/5A3O-DH6_decoy_scores.csv |
5AB9-92O | data/5A/5AB9-92O/5AB9-92O_ligand.pdbqt | data/5A/5AB9-92O/5AB9-92O_target.pdbqt | data/5A/5AB9-92O/5AB9-92O_decoys.pdbqt | data/5A/5AB9-92O/5AB9-92O_decoy_scores.csv |
5ADF-2SN | data/5A/5ADF-2SN/5ADF-2SN_ligand.pdbqt | data/5A/5ADF-2SN/5ADF-2SN_target.pdbqt | data/5A/5ADF-2SN/5ADF-2SN_decoys.pdbqt | data/5A/5ADF-2SN/5ADF-2SN_decoy_scores.csv |
5ACK-ATP | data/5A/5ACK-ATP/5ACK-ATP_ligand.pdbqt | data/5A/5ACK-ATP/5ACK-ATP_target.pdbqt | data/5A/5ACK-ATP/5ACK-ATP_decoys.pdbqt | data/5A/5ACK-ATP/5ACK-ATP_decoy_scores.csv |
5AD4-H4B | data/5A/5AD4-H4B/5AD4-H4B_ligand.pdbqt | data/5A/5AD4-H4B/5AD4-H4B_target.pdbqt | data/5A/5AD4-H4B/5AD4-H4B_decoys.pdbqt | data/5A/5AD4-H4B/5AD4-H4B_decoy_scores.csv |
5ANK-RJI | data/5A/5ANK-RJI/5ANK-RJI_ligand.pdbqt | data/5A/5ANK-RJI/5ANK-RJI_target.pdbqt | data/5A/5ANK-RJI/5ANK-RJI_decoys.pdbqt | data/5A/5ANK-RJI/5ANK-RJI_decoy_scores.csv |
5ADN-H4B | data/5A/5ADN-H4B/5ADN-H4B_ligand.pdbqt | data/5A/5ADN-H4B/5ADN-H4B_target.pdbqt | null | null |
5AH6-C7U | data/5A/5AH6-C7U/5AH6-C7U_ligand.pdbqt | data/5A/5AH6-C7U/5AH6-C7U_target.pdbqt | data/5A/5AH6-C7U/5AH6-C7U_decoys.pdbqt | data/5A/5AH6-C7U/5AH6-C7U_decoy_scores.csv |
5AFJ-42R | data/5A/5AFJ-42R/5AFJ-42R_ligand.pdbqt | data/5A/5AFJ-42R/5AFJ-42R_target.pdbqt | data/5A/5AFJ-42R/5AFJ-42R_decoys.pdbqt | data/5A/5AFJ-42R/5AFJ-42R_decoy_scores.csv |
5A2Z-GTP | data/5A/5A2Z-GTP/5A2Z-GTP_ligand.pdbqt | data/5A/5A2Z-GTP/5A2Z-GTP_target.pdbqt | data/5A/5A2Z-GTP/5A2Z-GTP_decoys.pdbqt | data/5A/5A2Z-GTP/5A2Z-GTP_decoy_scores.csv |
5A9P-ATP | data/5A/5A9P-ATP/5A9P-ATP_ligand.pdbqt | data/5A/5A9P-ATP/5A9P-ATP_target.pdbqt | data/5A/5A9P-ATP/5A9P-ATP_decoys.pdbqt | data/5A/5A9P-ATP/5A9P-ATP_decoy_scores.csv |
5AUW-QUE | data/5A/5AUW-QUE/5AUW-QUE_ligand.pdbqt | data/5A/5AUW-QUE/5AUW-QUE_target.pdbqt | data/5A/5AUW-QUE/5AUW-QUE_decoys.pdbqt | data/5A/5AUW-QUE/5AUW-QUE_decoy_scores.csv |
5A89-FMN | data/5A/5A89-FMN/5A89-FMN_ligand.pdbqt | data/5A/5A89-FMN/5A89-FMN_target.pdbqt | data/5A/5A89-FMN/5A89-FMN_decoys.pdbqt | data/5A/5A89-FMN/5A89-FMN_decoy_scores.csv |
5AD4-6M8 | data/5A/5AD4-6M8/5AD4-6M8_ligand.pdbqt | data/5A/5AD4-6M8/5AD4-6M8_target.pdbqt | data/5A/5AD4-6M8/5AD4-6M8_decoys.pdbqt | data/5A/5AD4-6M8/5AD4-6M8_decoy_scores.csv |
5A6B-OAN | data/5A/5A6B-OAN/5A6B-OAN_ligand.pdbqt | data/5A/5A6B-OAN/5A6B-OAN_target.pdbqt | data/5A/5A6B-OAN/5A6B-OAN_decoys.pdbqt | data/5A/5A6B-OAN/5A6B-OAN_decoy_scores.csv |
5AIG-VPR | data/5A/5AIG-VPR/5AIG-VPR_ligand.pdbqt | data/5A/5AIG-VPR/5AIG-VPR_target.pdbqt | data/5A/5AIG-VPR/5AIG-VPR_decoys.pdbqt | data/5A/5AIG-VPR/5AIG-VPR_decoy_scores.csv |
5AUY-MRI | data/5A/5AUY-MRI/5AUY-MRI_ligand.pdbqt | data/5A/5AUY-MRI/5AUY-MRI_target.pdbqt | data/5A/5AUY-MRI/5AUY-MRI_decoys.pdbqt | data/5A/5AUY-MRI/5AUY-MRI_decoy_scores.csv |
5AQK-GDP | data/5A/5AQK-GDP/5AQK-GDP_ligand.pdbqt | data/5A/5AQK-GDP/5AQK-GDP_target.pdbqt | data/5A/5AQK-GDP/5AQK-GDP_decoys.pdbqt | data/5A/5AQK-GDP/5AQK-GDP_decoy_scores.csv |
5ANU-58T | data/5A/5ANU-58T/5ANU-58T_ligand.pdbqt | data/5A/5ANU-58T/5ANU-58T_target.pdbqt | data/5A/5ANU-58T/5ANU-58T_decoys.pdbqt | data/5A/5ANU-58T/5ANU-58T_decoy_scores.csv |
5AJP-A2G | data/5A/5AJP-A2G/5AJP-A2G_ligand.pdbqt | data/5A/5AJP-A2G/5AJP-A2G_target.pdbqt | data/5A/5AJP-A2G/5AJP-A2G_decoys.pdbqt | data/5A/5AJP-A2G/5AJP-A2G_decoy_scores.csv |
5AGP-H4B | data/5A/5AGP-H4B/5AGP-H4B_ligand.pdbqt | data/5A/5AGP-H4B/5AGP-H4B_target.pdbqt | data/5A/5AGP-H4B/5AGP-H4B_decoys.pdbqt | data/5A/5AGP-H4B/5AGP-H4B_decoy_scores.csv |
5ANG-WY3 | data/5A/5ANG-WY3/5ANG-WY3_ligand.pdbqt | data/5A/5ANG-WY3/5ANG-WY3_target.pdbqt | data/5A/5ANG-WY3/5ANG-WY3_decoys.pdbqt | data/5A/5ANG-WY3/5ANG-WY3_decoy_scores.csv |
5AUO-ACP | data/5A/5AUO-ACP/5AUO-ACP_ligand.pdbqt | data/5A/5AUO-ACP/5AUO-ACP_target.pdbqt | data/5A/5AUO-ACP/5AUO-ACP_decoys.pdbqt | data/5A/5AUO-ACP/5AUO-ACP_decoy_scores.csv |
5AXB-NAD | data/5A/5AXB-NAD/5AXB-NAD_ligand.pdbqt | data/5A/5AXB-NAD/5AXB-NAD_target.pdbqt | data/5A/5AXB-NAD/5AXB-NAD_decoys.pdbqt | data/5A/5AXB-NAD/5AXB-NAD_decoy_scores.csv |
5AAV-GW5 | data/5A/5AAV-GW5/5AAV-GW5_ligand.pdbqt | data/5A/5AAV-GW5/5AAV-GW5_target.pdbqt | data/5A/5AAV-GW5/5AAV-GW5_decoys.pdbqt | data/5A/5AAV-GW5/5AAV-GW5_decoy_scores.csv |
5AXO-LMP | data/5A/5AXO-LMP/5AXO-LMP_ligand.pdbqt | data/5A/5AXO-LMP/5AXO-LMP_target.pdbqt | data/5A/5AXO-LMP/5AXO-LMP_decoys.pdbqt | data/5A/5AXO-LMP/5AXO-LMP_decoy_scores.csv |
5AGK-H4B | data/5A/5AGK-H4B/5AGK-H4B_ligand.pdbqt | data/5A/5AGK-H4B/5AGK-H4B_target.pdbqt | data/5A/5AGK-H4B/5AGK-H4B_decoys.pdbqt | data/5A/5AGK-H4B/5AGK-H4B_decoy_scores.csv |
5AD9-H4B | data/5A/5AD9-H4B/5AD9-H4B_ligand.pdbqt | data/5A/5AD9-H4B/5AD9-H4B_target.pdbqt | data/5A/5AD9-H4B/5AD9-H4B_decoys.pdbqt | data/5A/5AD9-H4B/5AD9-H4B_decoy_scores.csv |
5AYF-C7H | data/5A/5AYF-C7H/5AYF-C7H_ligand.pdbqt | data/5A/5AYF-C7H/5AYF-C7H_target.pdbqt | data/5A/5AYF-C7H/5AYF-C7H_decoys.pdbqt | data/5A/5AYF-C7H/5AYF-C7H_decoy_scores.csv |
5A14-LQ5 | data/5A/5A14-LQ5/5A14-LQ5_ligand.pdbqt | data/5A/5A14-LQ5/5A14-LQ5_target.pdbqt | data/5A/5A14-LQ5/5A14-LQ5_decoys.pdbqt | data/5A/5A14-LQ5/5A14-LQ5_decoy_scores.csv |
5AHN-IMP | data/5A/5AHN-IMP/5AHN-IMP_ligand.pdbqt | data/5A/5AHN-IMP/5AHN-IMP_target.pdbqt | data/5A/5AHN-IMP/5AHN-IMP_decoys.pdbqt | data/5A/5AHN-IMP/5AHN-IMP_decoy_scores.csv |
5AI8-K2T | data/5A/5AI8-K2T/5AI8-K2T_ligand.pdbqt | data/5A/5AI8-K2T/5AI8-K2T_target.pdbqt | data/5A/5AI8-K2T/5AI8-K2T_decoys.pdbqt | data/5A/5AI8-K2T/5AI8-K2T_decoy_scores.csv |
5AMD-45I | data/5A/5AMD-45I/5AMD-45I_ligand.pdbqt | data/5A/5AMD-45I/5AMD-45I_target.pdbqt | data/5A/5AMD-45I/5AMD-45I_decoys.pdbqt | data/5A/5AMD-45I/5AMD-45I_decoy_scores.csv |
5AK4-GVG | data/5A/5AK4-GVG/5AK4-GVG_ligand.pdbqt | data/5A/5AK4-GVG/5AK4-GVG_target.pdbqt | data/5A/5AK4-GVG/5AK4-GVG_decoys.pdbqt | data/5A/5AK4-GVG/5AK4-GVG_decoy_scores.csv |
5AP7-SVE | data/5A/5AP7-SVE/5AP7-SVE_ligand.pdbqt | data/5A/5AP7-SVE/5AP7-SVE_target.pdbqt | data/5A/5AP7-SVE/5AP7-SVE_decoys.pdbqt | data/5A/5AP7-SVE/5AP7-SVE_decoy_scores.csv |
5ADF-H4B | data/5A/5ADF-H4B/5ADF-H4B_ligand.pdbqt | data/5A/5ADF-H4B/5ADF-H4B_target.pdbqt | data/5A/5ADF-H4B/5ADF-H4B_decoys.pdbqt | data/5A/5ADF-H4B/5ADF-H4B_decoy_scores.csv |
5AEC-PIN | data/5A/5AEC-PIN/5AEC-PIN_ligand.pdbqt | data/5A/5AEC-PIN/5AEC-PIN_target.pdbqt | data/5A/5AEC-PIN/5AEC-PIN_decoys.pdbqt | data/5A/5AEC-PIN/5AEC-PIN_decoy_scores.csv |
5A88-ADP | data/5A/5A88-ADP/5A88-ADP_ligand.pdbqt | data/5A/5A88-ADP/5A88-ADP_target.pdbqt | data/5A/5A88-ADP/5A88-ADP_decoys.pdbqt | data/5A/5A88-ADP/5A88-ADP_decoy_scores.csv |
5A4Q-Y3L | data/5A/5A4Q-Y3L/5A4Q-Y3L_ligand.pdbqt | data/5A/5A4Q-Y3L/5A4Q-Y3L_target.pdbqt | data/5A/5A4Q-Y3L/5A4Q-Y3L_decoys.pdbqt | data/5A/5A4Q-Y3L/5A4Q-Y3L_decoy_scores.csv |
5AK0-F6P | data/5A/5AK0-F6P/5AK0-F6P_ligand.pdbqt | data/5A/5AK0-F6P/5AK0-F6P_target.pdbqt | data/5A/5AK0-F6P/5AK0-F6P_decoys.pdbqt | data/5A/5AK0-F6P/5AK0-F6P_decoy_scores.csv |
5A4I-LMT | data/5A/5A4I-LMT/5A4I-LMT_ligand.pdbqt | data/5A/5A4I-LMT/5A4I-LMT_target.pdbqt | data/5A/5A4I-LMT/5A4I-LMT_decoys.pdbqt | data/5A/5A4I-LMT/5A4I-LMT_decoy_scores.csv |
5A5O-J5I | data/5A/5A5O-J5I/5A5O-J5I_ligand.pdbqt | data/5A/5A5O-J5I/5A5O-J5I_target.pdbqt | data/5A/5A5O-J5I/5A5O-J5I_decoys.pdbqt | data/5A/5A5O-J5I/5A5O-J5I_decoy_scores.csv |
5ALL-II6 | data/5A/5ALL-II6/5ALL-II6_ligand.pdbqt | data/5A/5ALL-II6/5ALL-II6_target.pdbqt | data/5A/5ALL-II6/5ALL-II6_decoys.pdbqt | data/5A/5ALL-II6/5ALL-II6_decoy_scores.csv |
5ADE-XEB | data/5A/5ADE-XEB/5ADE-XEB_ligand.pdbqt | data/5A/5ADE-XEB/5ADE-XEB_target.pdbqt | data/5A/5ADE-XEB/5ADE-XEB_decoys.pdbqt | data/5A/5ADE-XEB/5ADE-XEB_decoy_scores.csv |
5AE9-OKO | data/5A/5AE9-OKO/5AE9-OKO_ligand.pdbqt | data/5A/5AE9-OKO/5AE9-OKO_target.pdbqt | data/5A/5AE9-OKO/5AE9-OKO_decoys.pdbqt | data/5A/5AE9-OKO/5AE9-OKO_decoy_scores.csv |
5A4U-I3A | data/5A/5A4U-I3A/5A4U-I3A_ligand.pdbqt | data/5A/5A4U-I3A/5A4U-I3A_target.pdbqt | data/5A/5A4U-I3A/5A4U-I3A_decoys.pdbqt | data/5A/5A4U-I3A/5A4U-I3A_decoy_scores.csv |
5A82-YEJ | data/5A/5A82-YEJ/5A82-YEJ_ligand.pdbqt | data/5A/5A82-YEJ/5A82-YEJ_target.pdbqt | data/5A/5A82-YEJ/5A82-YEJ_decoys.pdbqt | data/5A/5A82-YEJ/5A82-YEJ_decoy_scores.csv |
5AOM-FY8 | data/5A/5AOM-FY8/5AOM-FY8_ligand.pdbqt | data/5A/5AOM-FY8/5AOM-FY8_target.pdbqt | data/5A/5AOM-FY8/5AOM-FY8_decoys.pdbqt | data/5A/5AOM-FY8/5AOM-FY8_decoy_scores.csv |
5AM7-38O | data/5A/5AM7-38O/5AM7-38O_ligand.pdbqt | data/5A/5AM7-38O/5AM7-38O_target.pdbqt | data/5A/5AM7-38O/5AM7-38O_decoys.pdbqt | data/5A/5AM7-38O/5AM7-38O_decoy_scores.csv |
5AJQ-DB8 | data/5A/5AJQ-DB8/5AJQ-DB8_ligand.pdbqt | data/5A/5AJQ-DB8/5AJQ-DB8_target.pdbqt | data/5A/5AJQ-DB8/5AJQ-DB8_decoys.pdbqt | data/5A/5AJQ-DB8/5AJQ-DB8_decoy_scores.csv |
5ABT-GUO | data/5A/5ABT-GUO/5ABT-GUO_ligand.pdbqt | data/5A/5ABT-GUO/5ABT-GUO_target.pdbqt | data/5A/5ABT-GUO/5ABT-GUO_decoys.pdbqt | data/5A/5ABT-GUO/5ABT-GUO_decoy_scores.csv |
5A89-ADP | data/5A/5A89-ADP/5A89-ADP_ligand.pdbqt | data/5A/5A89-ADP/5A89-ADP_target.pdbqt | data/5A/5A89-ADP/5A89-ADP_decoys.pdbqt | data/5A/5A89-ADP/5A89-ADP_decoy_scores.csv |
5AMG-IW7 | data/5A/5AMG-IW7/5AMG-IW7_ligand.pdbqt | data/5A/5AMG-IW7/5AMG-IW7_target.pdbqt | data/5A/5AMG-IW7/5AMG-IW7_decoys.pdbqt | data/5A/5AMG-IW7/5AMG-IW7_decoy_scores.csv |
5A44-LI1 | data/5A/5A44-LI1/5A44-LI1_ligand.pdbqt | data/5A/5A44-LI1/5A44-LI1_target.pdbqt | data/5A/5A44-LI1/5A44-LI1_decoys.pdbqt | data/5A/5A44-LI1/5A44-LI1_decoy_scores.csv |
5ALM-7GM | data/5A/5ALM-7GM/5ALM-7GM_ligand.pdbqt | data/5A/5ALM-7GM/5ALM-7GM_target.pdbqt | data/5A/5ALM-7GM/5ALM-7GM_decoys.pdbqt | data/5A/5ALM-7GM/5ALM-7GM_decoy_scores.csv |
5AX1-R16 | data/5A/5AX1-R16/5AX1-R16_ligand.pdbqt | data/5A/5AX1-R16/5AX1-R16_target.pdbqt | data/5A/5AX1-R16/5AX1-R16_decoys.pdbqt | data/5A/5AX1-R16/5AX1-R16_decoy_scores.csv |
5ANI-ES4 | data/5A/5ANI-ES4/5ANI-ES4_ligand.pdbqt | data/5A/5ANI-ES4/5ANI-ES4_target.pdbqt | data/5A/5ANI-ES4/5ANI-ES4_decoys.pdbqt | data/5A/5ANI-ES4/5ANI-ES4_decoy_scores.csv |
5A7S-S2X | data/5A/5A7S-S2X/5A7S-S2X_ligand.pdbqt | data/5A/5A7S-S2X/5A7S-S2X_target.pdbqt | data/5A/5A7S-S2X/5A7S-S2X_decoys.pdbqt | data/5A/5A7S-S2X/5A7S-S2X_decoy_scores.csv |
5AKT-R4G | data/5A/5AKT-R4G/5AKT-R4G_ligand.pdbqt | data/5A/5AKT-R4G/5AKT-R4G_target.pdbqt | data/5A/5AKT-R4G/5AKT-R4G_decoys.pdbqt | data/5A/5AKT-R4G/5AKT-R4G_decoy_scores.csv |
5A9U-5P8 | data/5A/5A9U-5P8/5A9U-5P8_ligand.pdbqt | data/5A/5A9U-5P8/5A9U-5P8_target.pdbqt | data/5A/5A9U-5P8/5A9U-5P8_decoys.pdbqt | data/5A/5A9U-5P8/5A9U-5P8_decoy_scores.csv |
5A4C-XOJ | data/5A/5A4C-XOJ/5A4C-XOJ_ligand.pdbqt | data/5A/5A4C-XOJ/5A4C-XOJ_target.pdbqt | data/5A/5A4C-XOJ/5A4C-XOJ_decoys.pdbqt | data/5A/5A4C-XOJ/5A4C-XOJ_decoy_scores.csv |
5AX0-RET | data/5A/5AX0-RET/5AX0-RET_ligand.pdbqt | data/5A/5AX0-RET/5AX0-RET_target.pdbqt | data/5A/5AX0-RET/5AX0-RET_decoys.pdbqt | data/5A/5AX0-RET/5AX0-RET_decoy_scores.csv |
5A96-GTP | data/5A/5A96-GTP/5A96-GTP_ligand.pdbqt | data/5A/5A96-GTP/5A96-GTP_target.pdbqt | data/5A/5A96-GTP/5A96-GTP_decoys.pdbqt | data/5A/5A96-GTP/5A96-GTP_decoy_scores.csv |
5AI6-4XH | data/5A/5AI6-4XH/5AI6-4XH_ligand.pdbqt | data/5A/5AI6-4XH/5AI6-4XH_target.pdbqt | data/5A/5AI6-4XH/5AI6-4XH_decoys.pdbqt | data/5A/5AI6-4XH/5AI6-4XH_decoy_scores.csv |
5ADW-EHS | data/5A/5ADW-EHS/5ADW-EHS_ligand.pdbqt | data/5A/5ADW-EHS/5ADW-EHS_target.pdbqt | data/5A/5ADW-EHS/5ADW-EHS_decoys.pdbqt | data/5A/5ADW-EHS/5ADW-EHS_decoy_scores.csv |
5AII-HIS | data/5A/5AII-HIS/5AII-HIS_ligand.pdbqt | data/5A/5AII-HIS/5AII-HIS_target.pdbqt | data/5A/5AII-HIS/5AII-HIS_decoys.pdbqt | data/5A/5AII-HIS/5AII-HIS_decoy_scores.csv |
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