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 ⌀ |
|---|---|---|---|---|
2EVL-EIC | data/2E/2EVL-EIC/2EVL-EIC_ligand.pdbqt | data/2E/2EVL-EIC/2EVL-EIC_target.pdbqt | data/2E/2EVL-EIC/2EVL-EIC_decoys.pdbqt | data/2E/2EVL-EIC/2EVL-EIC_decoy_scores.csv |
2EIL-CHD | data/2E/2EIL-CHD/2EIL-CHD_ligand.pdbqt | data/2E/2EIL-CHD/2EIL-CHD_target.pdbqt | data/2E/2EIL-CHD/2EIL-CHD_decoys.pdbqt | data/2E/2EIL-CHD/2EIL-CHD_decoy_scores.csv |
2EA2-F77 | data/2E/2EA2-F77/2EA2-F77_ligand.pdbqt | data/2E/2EA2-F77/2EA2-F77_target.pdbqt | data/2E/2EA2-F77/2EA2-F77_decoys.pdbqt | data/2E/2EA2-F77/2EA2-F77_decoy_scores.csv |
2ESA-GDM | data/2E/2ESA-GDM/2ESA-GDM_ligand.pdbqt | data/2E/2ESA-GDM/2ESA-GDM_target.pdbqt | data/2E/2ESA-GDM/2ESA-GDM_decoys.pdbqt | data/2E/2ESA-GDM/2ESA-GDM_decoy_scores.csv |
2EHU-NAD | data/2E/2EHU-NAD/2EHU-NAD_ligand.pdbqt | data/2E/2EHU-NAD/2EHU-NAD_target.pdbqt | data/2E/2EHU-NAD/2EHU-NAD_decoys.pdbqt | data/2E/2EHU-NAD/2EHU-NAD_decoy_scores.csv |
2EVL-GAL | data/2E/2EVL-GAL/2EVL-GAL_ligand.pdbqt | data/2E/2EVL-GAL/2EVL-GAL_target.pdbqt | data/2E/2EVL-GAL/2EVL-GAL_decoys.pdbqt | data/2E/2EVL-GAL/2EVL-GAL_decoy_scores.csv |
2EN5-SAH | data/2E/2EN5-SAH/2EN5-SAH_ligand.pdbqt | data/2E/2EN5-SAH/2EN5-SAH_target.pdbqt | data/2E/2EN5-SAH/2EN5-SAH_decoys.pdbqt | data/2E/2EN5-SAH/2EN5-SAH_decoy_scores.csv |
2EV1-OLA | data/2E/2EV1-OLA/2EV1-OLA_ligand.pdbqt | data/2E/2EV1-OLA/2EV1-OLA_target.pdbqt | data/2E/2EV1-OLA/2EV1-OLA_decoys.pdbqt | data/2E/2EV1-OLA/2EV1-OLA_decoy_scores.csv |
2E3Q-18C | data/2E/2E3Q-18C/2E3Q-18C_ligand.pdbqt | data/2E/2E3Q-18C/2E3Q-18C_target.pdbqt | data/2E/2E3Q-18C/2E3Q-18C_decoys.pdbqt | data/2E/2E3Q-18C/2E3Q-18C_decoy_scores.csv |
2E9L-OLA | data/2E/2E9L-OLA/2E9L-OLA_ligand.pdbqt | data/2E/2E9L-OLA/2E9L-OLA_target.pdbqt | data/2E/2E9L-OLA/2E9L-OLA_decoys.pdbqt | data/2E/2E9L-OLA/2E9L-OLA_decoy_scores.csv |
2EL2-SAH | data/2E/2EL2-SAH/2EL2-SAH_ligand.pdbqt | data/2E/2EL2-SAH/2EL2-SAH_target.pdbqt | data/2E/2EL2-SAH/2EL2-SAH_decoys.pdbqt | data/2E/2EL2-SAH/2EL2-SAH_decoy_scores.csv |
2EER-NAD | data/2E/2EER-NAD/2EER-NAD_ligand.pdbqt | data/2E/2EER-NAD/2EER-NAD_target.pdbqt | data/2E/2EER-NAD/2EER-NAD_decoys.pdbqt | data/2E/2EER-NAD/2EER-NAD_decoy_scores.csv |
2ENI-SAH | data/2E/2ENI-SAH/2ENI-SAH_ligand.pdbqt | data/2E/2ENI-SAH/2ENI-SAH_target.pdbqt | data/2E/2ENI-SAH/2ENI-SAH_decoys.pdbqt | data/2E/2ENI-SAH/2ENI-SAH_decoy_scores.csv |
2EIK-CHD | data/2E/2EIK-CHD/2EIK-CHD_ligand.pdbqt | data/2E/2EIK-CHD/2EIK-CHD_target.pdbqt | data/2E/2EIK-CHD/2EIK-CHD_decoys.pdbqt | data/2E/2EIK-CHD/2EIK-CHD_decoy_scores.csv |
2ELD-SAH | data/2E/2ELD-SAH/2ELD-SAH_ligand.pdbqt | data/2E/2ELD-SAH/2ELD-SAH_target.pdbqt | data/2E/2ELD-SAH/2ELD-SAH_decoys.pdbqt | data/2E/2ELD-SAH/2ELD-SAH_decoy_scores.csv |
2E7R-SAH | data/2E/2E7R-SAH/2E7R-SAH_ligand.pdbqt | data/2E/2E7R-SAH/2E7R-SAH_target.pdbqt | data/2E/2E7R-SAH/2E7R-SAH_decoys.pdbqt | data/2E/2E7R-SAH/2E7R-SAH_decoy_scores.csv |
2ERZ-HFS | data/2E/2ERZ-HFS/2ERZ-HFS_ligand.pdbqt | data/2E/2ERZ-HFS/2ERZ-HFS_target.pdbqt | data/2E/2ERZ-HFS/2ERZ-HFS_decoys.pdbqt | data/2E/2ERZ-HFS/2ERZ-HFS_decoy_scores.csv |
2EWG-M0N | data/2E/2EWG-M0N/2EWG-M0N_ligand.pdbqt | data/2E/2EWG-M0N/2EWG-M0N_target.pdbqt | data/2E/2EWG-M0N/2EWG-M0N_decoys.pdbqt | data/2E/2EWG-M0N/2EWG-M0N_decoy_scores.csv |
2EG2-ATP | data/2E/2EG2-ATP/2EG2-ATP_ligand.pdbqt | data/2E/2EG2-ATP/2EG2-ATP_target.pdbqt | data/2E/2EG2-ATP/2EG2-ATP_decoys.pdbqt | data/2E/2EG2-ATP/2EG2-ATP_decoy_scores.csv |
2EGL-SAH | data/2E/2EGL-SAH/2EGL-SAH_ligand.pdbqt | data/2E/2EGL-SAH/2EGL-SAH_target.pdbqt | data/2E/2EGL-SAH/2EGL-SAH_decoys.pdbqt | data/2E/2EGL-SAH/2EGL-SAH_decoy_scores.csv |
2E5A-LAQ | data/2E/2E5A-LAQ/2E5A-LAQ_ligand.pdbqt | data/2E/2E5A-LAQ/2E5A-LAQ_target.pdbqt | data/2E/2E5A-LAQ/2E5A-LAQ_decoys.pdbqt | data/2E/2E5A-LAQ/2E5A-LAQ_decoy_scores.csv |
2ENB-THP | data/2E/2ENB-THP/2ENB-THP_ligand.pdbqt | data/2E/2ENB-THP/2ENB-THP_target.pdbqt | data/2E/2ENB-THP/2ENB-THP_decoys.pdbqt | data/2E/2ENB-THP/2ENB-THP_decoy_scores.csv |
2EJ0-PMP | data/2E/2EJ0-PMP/2EJ0-PMP_ligand.pdbqt | data/2E/2EJ0-PMP/2EJ0-PMP_target.pdbqt | data/2E/2EJ0-PMP/2EJ0-PMP_decoys.pdbqt | data/2E/2EJ0-PMP/2EJ0-PMP_decoy_scores.csv |
2EJ9-BTN | data/2E/2EJ9-BTN/2EJ9-BTN_ligand.pdbqt | data/2E/2EJ9-BTN/2EJ9-BTN_target.pdbqt | data/2E/2EJ9-BTN/2EJ9-BTN_decoys.pdbqt | data/2E/2EJ9-BTN/2EJ9-BTN_decoy_scores.csv |
2EI1-D1N | data/2E/2EI1-D1N/2EI1-D1N_ligand.pdbqt | data/2E/2EI1-D1N/2EI1-D1N_target.pdbqt | data/2E/2EI1-D1N/2EI1-D1N_decoys.pdbqt | data/2E/2EI1-D1N/2EI1-D1N_decoy_scores.csv |
2EKN-FLC | data/2E/2EKN-FLC/2EKN-FLC_ligand.pdbqt | data/2E/2EKN-FLC/2EKN-FLC_target.pdbqt | data/2E/2EKN-FLC/2EKN-FLC_decoys.pdbqt | data/2E/2EKN-FLC/2EKN-FLC_decoy_scores.csv |
2EUD-GCQ | data/2E/2EUD-GCQ/2EUD-GCQ_ligand.pdbqt | data/2E/2EUD-GCQ/2EUD-GCQ_target.pdbqt | data/2E/2EUD-GCQ/2EUD-GCQ_decoys.pdbqt | data/2E/2EUD-GCQ/2EUD-GCQ_decoy_scores.csv |
2ED3-SAH | data/2E/2ED3-SAH/2ED3-SAH_ligand.pdbqt | data/2E/2ED3-SAH/2ED3-SAH_target.pdbqt | data/2E/2ED3-SAH/2ED3-SAH_decoys.pdbqt | data/2E/2ED3-SAH/2ED3-SAH_decoy_scores.csv |
2ECU-12P | data/2E/2ECU-12P/2ECU-12P_ligand.pdbqt | data/2E/2ECU-12P/2ECU-12P_target.pdbqt | data/2E/2ECU-12P/2ECU-12P_decoys.pdbqt | data/2E/2ECU-12P/2ECU-12P_decoy_scores.csv |
2E9U-A25 | data/2E/2E9U-A25/2E9U-A25_ligand.pdbqt | data/2E/2E9U-A25/2E9U-A25_target.pdbqt | data/2E/2E9U-A25/2E9U-A25_decoys.pdbqt | data/2E/2E9U-A25/2E9U-A25_decoy_scores.csv |
2E2Q-XYP | data/2E/2E2Q-XYP/2E2Q-XYP_ligand.pdbqt | data/2E/2E2Q-XYP/2E2Q-XYP_target.pdbqt | data/2E/2E2Q-XYP/2E2Q-XYP_decoys.pdbqt | data/2E/2E2Q-XYP/2E2Q-XYP_decoy_scores.csv |
2E94-364 | data/2E/2E94-364/2E94-364_ligand.pdbqt | data/2E/2E94-364/2E94-364_target.pdbqt | data/2E/2E94-364/2E94-364_decoys.pdbqt | data/2E/2E94-364/2E94-364_decoy_scores.csv |
2E9A-B28 | data/2E/2E9A-B28/2E9A-B28_ligand.pdbqt | data/2E/2E9A-B28/2E9A-B28_target.pdbqt | data/2E/2E9A-B28/2E9A-B28_decoys.pdbqt | data/2E/2E9A-B28/2E9A-B28_decoy_scores.csv |
2EMR-SAH | data/2E/2EMR-SAH/2EMR-SAH_ligand.pdbqt | data/2E/2EMR-SAH/2EMR-SAH_target.pdbqt | data/2E/2EMR-SAH/2EMR-SAH_decoys.pdbqt | data/2E/2EMR-SAH/2EMR-SAH_decoy_scores.csv |
2E4N-SAH | data/2E/2E4N-SAH/2E4N-SAH_ligand.pdbqt | data/2E/2E4N-SAH/2E4N-SAH_target.pdbqt | data/2E/2E4N-SAH/2E4N-SAH_decoys.pdbqt | data/2E/2E4N-SAH/2E4N-SAH_decoy_scores.csv |
2E9O-A58 | data/2E/2E9O-A58/2E9O-A58_ligand.pdbqt | data/2E/2E9O-A58/2E9O-A58_target.pdbqt | data/2E/2E9O-A58/2E9O-A58_decoys.pdbqt | data/2E/2E9O-A58/2E9O-A58_decoy_scores.csv |
2E9N-76A | data/2E/2E9N-76A/2E9N-76A_ligand.pdbqt | data/2E/2E9N-76A/2E9N-76A_target.pdbqt | data/2E/2E9N-76A/2E9N-76A_decoys.pdbqt | data/2E/2E9N-76A/2E9N-76A_decoy_scores.csv |
2EWA-SB2 | data/2E/2EWA-SB2/2EWA-SB2_ligand.pdbqt | data/2E/2EWA-SB2/2EWA-SB2_target.pdbqt | data/2E/2EWA-SB2/2EWA-SB2_decoys.pdbqt | data/2E/2EWA-SB2/2EWA-SB2_decoy_scores.csv |
2EVO-CT0 | data/2E/2EVO-CT0/2EVO-CT0_ligand.pdbqt | data/2E/2EVO-CT0/2EVO-CT0_target.pdbqt | data/2E/2EVO-CT0/2EVO-CT0_decoys.pdbqt | data/2E/2EVO-CT0/2EVO-CT0_decoy_scores.csv |
2E89-ATP | data/2E/2E89-ATP/2E89-ATP_ligand.pdbqt | data/2E/2E89-ATP/2E89-ATP_target.pdbqt | data/2E/2E89-ATP/2E89-ATP_decoys.pdbqt | data/2E/2E89-ATP/2E89-ATP_decoy_scores.csv |
2EHL-SAH | data/2E/2EHL-SAH/2EHL-SAH_ligand.pdbqt | data/2E/2EHL-SAH/2EHL-SAH_target.pdbqt | data/2E/2EHL-SAH/2EHL-SAH_decoys.pdbqt | data/2E/2EHL-SAH/2EHL-SAH_decoy_scores.csv |
2EXB-FXM | data/2E/2EXB-FXM/2EXB-FXM_ligand.pdbqt | data/2E/2EXB-FXM/2EXB-FXM_target.pdbqt | data/2E/2EXB-FXM/2EXB-FXM_decoys.pdbqt | data/2E/2EXB-FXM/2EXB-FXM_decoy_scores.csv |
2EEK-BEN | data/2E/2EEK-BEN/2EEK-BEN_ligand.pdbqt | data/2E/2EEK-BEN/2EEK-BEN_target.pdbqt | data/2E/2EEK-BEN/2EEK-BEN_decoys.pdbqt | data/2E/2EEK-BEN/2EEK-BEN_decoy_scores.csv |
2EVS-GLC | data/2E/2EVS-GLC/2EVS-GLC_ligand.pdbqt | data/2E/2EVS-GLC/2EVS-GLC_target.pdbqt | data/2E/2EVS-GLC/2EVS-GLC_decoys.pdbqt | data/2E/2EVS-GLC/2EVS-GLC_decoy_scores.csv |
2EF9-PEP | data/2E/2EF9-PEP/2EF9-PEP_ligand.pdbqt | data/2E/2EF9-PEP/2EF9-PEP_target.pdbqt | data/2E/2EF9-PEP/2EF9-PEP_decoys.pdbqt | data/2E/2EF9-PEP/2EF9-PEP_decoy_scores.csv |
2EMU-SAH | data/2E/2EMU-SAH/2EMU-SAH_ligand.pdbqt | data/2E/2EMU-SAH/2EMU-SAH_target.pdbqt | data/2E/2EMU-SAH/2EMU-SAH_decoys.pdbqt | data/2E/2EMU-SAH/2EMU-SAH_decoy_scores.csv |
2E8T-FPS | data/2E/2E8T-FPS/2E8T-FPS_ligand.pdbqt | data/2E/2E8T-FPS/2E8T-FPS_target.pdbqt | data/2E/2E8T-FPS/2E8T-FPS_decoys.pdbqt | data/2E/2E8T-FPS/2E8T-FPS_decoy_scores.csv |
2EVS-D10 | data/2E/2EVS-D10/2EVS-D10_ligand.pdbqt | data/2E/2EVS-D10/2EVS-D10_target.pdbqt | data/2E/2EVS-D10/2EVS-D10_decoys.pdbqt | data/2E/2EVS-D10/2EVS-D10_decoy_scores.csv |
2EII-NAD | data/2E/2EII-NAD/2EII-NAD_ligand.pdbqt | data/2E/2EII-NAD/2EII-NAD_target.pdbqt | data/2E/2EII-NAD/2EII-NAD_decoys.pdbqt | data/2E/2EII-NAD/2EII-NAD_decoy_scores.csv |
2EXL-GDM | data/2E/2EXL-GDM/2EXL-GDM_ligand.pdbqt | data/2E/2EXL-GDM/2EXL-GDM_target.pdbqt | data/2E/2EXL-GDM/2EXL-GDM_decoys.pdbqt | data/2E/2EXL-GDM/2EXL-GDM_decoy_scores.csv |
2EJU-SAH | data/2E/2EJU-SAH/2EJU-SAH_ligand.pdbqt | data/2E/2EJU-SAH/2EJU-SAH_target.pdbqt | data/2E/2EJU-SAH/2EJU-SAH_decoys.pdbqt | data/2E/2EJU-SAH/2EJU-SAH_decoy_scores.csv |
2E6F-FMN | data/2E/2E6F-FMN/2E6F-FMN_ligand.pdbqt | data/2E/2E6F-FMN/2E6F-FMN_target.pdbqt | data/2E/2E6F-FMN/2E6F-FMN_decoys.pdbqt | data/2E/2E6F-FMN/2E6F-FMN_decoy_scores.csv |
2EFC-GDP | data/2E/2EFC-GDP/2EFC-GDP_ligand.pdbqt | data/2E/2EFC-GDP/2EFC-GDP_target.pdbqt | data/2E/2EFC-GDP/2EFC-GDP_decoys.pdbqt | data/2E/2EFC-GDP/2EFC-GDP_decoy_scores.csv |
2EGB-SAH | data/2E/2EGB-SAH/2EGB-SAH_ligand.pdbqt | data/2E/2EGB-SAH/2EGB-SAH_target.pdbqt | data/2E/2EGB-SAH/2EGB-SAH_decoys.pdbqt | data/2E/2EGB-SAH/2EGB-SAH_decoy_scores.csv |
2EI5-BTB | data/2E/2EI5-BTB/2EI5-BTB_ligand.pdbqt | data/2E/2EI5-BTB/2EI5-BTB_target.pdbqt | data/2E/2EI5-BTB/2EI5-BTB_decoys.pdbqt | data/2E/2EI5-BTB/2EI5-BTB_decoy_scores.csv |
2E9L-BGC | data/2E/2E9L-BGC/2E9L-BGC_ligand.pdbqt | data/2E/2E9L-BGC/2E9L-BGC_target.pdbqt | data/2E/2E9L-BGC/2E9L-BGC_decoys.pdbqt | data/2E/2E9L-BGC/2E9L-BGC_decoy_scores.csv |
2EQA-AMP | data/2E/2EQA-AMP/2EQA-AMP_ligand.pdbqt | data/2E/2EQA-AMP/2EQA-AMP_target.pdbqt | data/2E/2EQA-AMP/2EQA-AMP_decoys.pdbqt | data/2E/2EQA-AMP/2EQA-AMP_decoy_scores.csv |
2E8T-IPE | data/2E/2E8T-IPE/2E8T-IPE_ligand.pdbqt | data/2E/2E8T-IPE/2E8T-IPE_target.pdbqt | data/2E/2E8T-IPE/2E8T-IPE_decoys.pdbqt | data/2E/2E8T-IPE/2E8T-IPE_decoy_scores.csv |
2E3N-6CM | data/2E/2E3N-6CM/2E3N-6CM_ligand.pdbqt | data/2E/2E3N-6CM/2E3N-6CM_target.pdbqt | data/2E/2E3N-6CM/2E3N-6CM_decoys.pdbqt | data/2E/2E3N-6CM/2E3N-6CM_decoy_scores.csv |
2E3T-URC | data/2E/2E3T-URC/2E3T-URC_ligand.pdbqt | data/2E/2E3T-URC/2E3T-URC_target.pdbqt | data/2E/2E3T-URC/2E3T-URC_decoys.pdbqt | data/2E/2E3T-URC/2E3T-URC_decoy_scores.csv |
2EH5-SAH | data/2E/2EH5-SAH/2EH5-SAH_ligand.pdbqt | data/2E/2EH5-SAH/2EH5-SAH_target.pdbqt | data/2E/2EH5-SAH/2EH5-SAH_decoys.pdbqt | data/2E/2EH5-SAH/2EH5-SAH_decoy_scores.csv |
2E7W-GLN | data/2E/2E7W-GLN/2E7W-GLN_ligand.pdbqt | data/2E/2E7W-GLN/2E7W-GLN_target.pdbqt | data/2E/2E7W-GLN/2E7W-GLN_decoys.pdbqt | data/2E/2E7W-GLN/2E7W-GLN_decoy_scores.csv |
2E7X-GLN | data/2E/2E7X-GLN/2E7X-GLN_ligand.pdbqt | data/2E/2E7X-GLN/2E7X-GLN_target.pdbqt | data/2E/2E7X-GLN/2E7X-GLN_decoys.pdbqt | data/2E/2E7X-GLN/2E7X-GLN_decoy_scores.csv |
2E6A-ORO | data/2E/2E6A-ORO/2E6A-ORO_ligand.pdbqt | data/2E/2E6A-ORO/2E6A-ORO_target.pdbqt | data/2E/2E6A-ORO/2E6A-ORO_decoys.pdbqt | data/2E/2E6A-ORO/2E6A-ORO_decoy_scores.csv |
2E5X-ITT | data/2E/2E5X-ITT/2E5X-ITT_ligand.pdbqt | data/2E/2E5X-ITT/2E5X-ITT_target.pdbqt | data/2E/2E5X-ITT/2E5X-ITT_decoys.pdbqt | data/2E/2E5X-ITT/2E5X-ITT_decoy_scores.csv |
2EF5-LYS | data/2E/2EF5-LYS/2EF5-LYS_ligand.pdbqt | data/2E/2EF5-LYS/2EF5-LYS_target.pdbqt | data/2E/2EF5-LYS/2EF5-LYS_decoys.pdbqt | data/2E/2EF5-LYS/2EF5-LYS_decoy_scores.csv |
2EXS-TRP | data/2E/2EXS-TRP/2EXS-TRP_ligand.pdbqt | data/2E/2EXS-TRP/2EXS-TRP_target.pdbqt | data/2E/2EXS-TRP/2EXS-TRP_decoys.pdbqt | data/2E/2EXS-TRP/2EXS-TRP_decoy_scores.csv |
2EU2-5DS | data/2E/2EU2-5DS/2EU2-5DS_ligand.pdbqt | data/2E/2EU2-5DS/2EU2-5DS_target.pdbqt | data/2E/2EU2-5DS/2EU2-5DS_decoys.pdbqt | data/2E/2EU2-5DS/2EU2-5DS_decoy_scores.csv |
2E6D-FMN | data/2E/2E6D-FMN/2E6D-FMN_ligand.pdbqt | data/2E/2E6D-FMN/2E6D-FMN_target.pdbqt | data/2E/2E6D-FMN/2E6D-FMN_decoys.pdbqt | data/2E/2E6D-FMN/2E6D-FMN_decoy_scores.csv |
2EW6-Y13 | data/2E/2EW6-Y13/2EW6-Y13_ligand.pdbqt | data/2E/2EW6-Y13/2EW6-Y13_target.pdbqt | data/2E/2EW6-Y13/2EW6-Y13_decoys.pdbqt | data/2E/2EW6-Y13/2EW6-Y13_decoy_scores.csv |
2EI3-BPY | data/2E/2EI3-BPY/2EI3-BPY_ligand.pdbqt | data/2E/2EI3-BPY/2EI3-BPY_target.pdbqt | data/2E/2EI3-BPY/2EI3-BPY_decoys.pdbqt | data/2E/2EI3-BPY/2EI3-BPY_decoy_scores.csv |
2E2B-406 | data/2E/2E2B-406/2E2B-406_ligand.pdbqt | data/2E/2E2B-406/2E2B-406_target.pdbqt | data/2E/2E2B-406/2E2B-406_decoys.pdbqt | data/2E/2E2B-406/2E2B-406_decoy_scores.csv |
2EZ9-TDK | data/2E/2EZ9-TDK/2EZ9-TDK_ligand.pdbqt | data/2E/2EZ9-TDK/2EZ9-TDK_target.pdbqt | data/2E/2EZ9-TDK/2EZ9-TDK_decoys.pdbqt | data/2E/2EZ9-TDK/2EZ9-TDK_decoy_scores.csv |
2EI4-RET | data/2E/2EI4-RET/2EI4-RET_ligand.pdbqt | data/2E/2EI4-RET/2EI4-RET_target.pdbqt | data/2E/2EI4-RET/2EI4-RET_decoys.pdbqt | data/2E/2EI4-RET/2EI4-RET_decoy_scores.csv |
2EIJ-DMU | data/2E/2EIJ-DMU/2EIJ-DMU_ligand.pdbqt | data/2E/2EIJ-DMU/2EIJ-DMU_target.pdbqt | data/2E/2EIJ-DMU/2EIJ-DMU_decoys.pdbqt | data/2E/2EIJ-DMU/2EIJ-DMU_decoy_scores.csv |
2E68-DOR | data/2E/2E68-DOR/2E68-DOR_ligand.pdbqt | data/2E/2E68-DOR/2E68-DOR_target.pdbqt | data/2E/2E68-DOR/2E68-DOR_decoys.pdbqt | data/2E/2E68-DOR/2E68-DOR_decoy_scores.csv |
2E5C-PRP | data/2E/2E5C-PRP/2E5C-PRP_ligand.pdbqt | data/2E/2E5C-PRP/2E5C-PRP_target.pdbqt | data/2E/2E5C-PRP/2E5C-PRP_decoys.pdbqt | data/2E/2E5C-PRP/2E5C-PRP_decoy_scores.csv |
2EW1-GNP | data/2E/2EW1-GNP/2EW1-GNP_ligand.pdbqt | data/2E/2EW1-GNP/2EW1-GNP_target.pdbqt | data/2E/2EW1-GNP/2EW1-GNP_decoys.pdbqt | data/2E/2EW1-GNP/2EW1-GNP_decoy_scores.csv |
2EIT-NAD | data/2E/2EIT-NAD/2EIT-NAD_ligand.pdbqt | data/2E/2EIT-NAD/2EIT-NAD_target.pdbqt | data/2E/2EIT-NAD/2EIT-NAD_decoys.pdbqt | data/2E/2EIT-NAD/2EIT-NAD_decoy_scores.csv |
2E3O-16C | data/2E/2E3O-16C/2E3O-16C_ligand.pdbqt | data/2E/2E3O-16C/2E3O-16C_target.pdbqt | data/2E/2E3O-16C/2E3O-16C_decoys.pdbqt | data/2E/2E3O-16C/2E3O-16C_decoy_scores.csv |
2EFP-GLN | data/2E/2EFP-GLN/2EFP-GLN_ligand.pdbqt | data/2E/2EFP-GLN/2EFP-GLN_target.pdbqt | data/2E/2EFP-GLN/2EFP-GLN_decoys.pdbqt | data/2E/2EFP-GLN/2EFP-GLN_decoy_scores.csv |
2EWM-NAD | data/2E/2EWM-NAD/2EWM-NAD_ligand.pdbqt | data/2E/2EWM-NAD/2EWM-NAD_target.pdbqt | data/2E/2EWM-NAD/2EWM-NAD_decoys.pdbqt | data/2E/2EWM-NAD/2EWM-NAD_decoy_scores.csv |
2ED4-NAD | data/2E/2ED4-NAD/2ED4-NAD_ligand.pdbqt | data/2E/2ED4-NAD/2ED4-NAD_target.pdbqt | data/2E/2ED4-NAD/2ED4-NAD_decoys.pdbqt | data/2E/2ED4-NAD/2ED4-NAD_decoy_scores.csv |
2EXT-TRP | data/2E/2EXT-TRP/2EXT-TRP_ligand.pdbqt | data/2E/2EXT-TRP/2EXT-TRP_target.pdbqt | data/2E/2EXT-TRP/2EXT-TRP_decoys.pdbqt | data/2E/2EXT-TRP/2EXT-TRP_decoy_scores.csv |
2E07-SAH | data/2E/2E07-SAH/2E07-SAH_ligand.pdbqt | data/2E/2E07-SAH/2E07-SAH_target.pdbqt | data/2E/2E07-SAH/2E07-SAH_decoys.pdbqt | data/2E/2E07-SAH/2E07-SAH_decoy_scores.csv |
2E17-SAH | data/2E/2E17-SAH/2E17-SAH_ligand.pdbqt | data/2E/2E17-SAH/2E17-SAH_target.pdbqt | data/2E/2E17-SAH/2E17-SAH_decoys.pdbqt | data/2E/2E17-SAH/2E17-SAH_decoy_scores.csv |
2E9C-B75 | data/2E/2E9C-B75/2E9C-B75_ligand.pdbqt | data/2E/2E9C-B75/2E9C-B75_target.pdbqt | data/2E/2E9C-B75/2E9C-B75_decoys.pdbqt | data/2E/2E9C-B75/2E9C-B75_decoy_scores.csv |
2E9V-85A | data/2E/2E9V-85A/2E9V-85A_ligand.pdbqt | data/2E/2E9V-85A/2E9V-85A_target.pdbqt | data/2E/2E9V-85A/2E9V-85A_decoys.pdbqt | data/2E/2E9V-85A/2E9V-85A_decoy_scores.csv |
2EZ7-DHI | data/2E/2EZ7-DHI/2EZ7-DHI_ligand.pdbqt | data/2E/2EZ7-DHI/2EZ7-DHI_target.pdbqt | data/2E/2EZ7-DHI/2EZ7-DHI_decoys.pdbqt | data/2E/2EZ7-DHI/2EZ7-DHI_decoy_scores.csv |
5PB0-7LX | data/5P/5PB0-7LX/5PB0-7LX_ligand.pdbqt | data/5P/5PB0-7LX/5PB0-7LX_target.pdbqt | data/5P/5PB0-7LX/5PB0-7LX_decoys.pdbqt | data/5P/5PB0-7LX/5PB0-7LX_decoy_scores.csv |
5PRC-ATZ | data/5P/5PRC-ATZ/5PRC-ATZ_ligand.pdbqt | data/5P/5PRC-ATZ/5PRC-ATZ_target.pdbqt | data/5P/5PRC-ATZ/5PRC-ATZ_decoys.pdbqt | data/5P/5PRC-ATZ/5PRC-ATZ_decoy_scores.csv |
5P95-77G | data/5P/5P95-77G/5P95-77G_ligand.pdbqt | data/5P/5P95-77G/5P95-77G_target.pdbqt | data/5P/5P95-77G/5P95-77G_decoys.pdbqt | data/5P/5P95-77G/5P95-77G_decoy_scores.csv |
5PRC-NS5 | data/5P/5PRC-NS5/5PRC-NS5_ligand.pdbqt | data/5P/5PRC-NS5/5PRC-NS5_target.pdbqt | data/5P/5PRC-NS5/5PRC-NS5_decoys.pdbqt | data/5P/5PRC-NS5/5PRC-NS5_decoy_scores.csv |
5P9V-CXS | data/5P/5P9V-CXS/5P9V-CXS_ligand.pdbqt | data/5P/5P9V-CXS/5P9V-CXS_target.pdbqt | data/5P/5P9V-CXS/5P9V-CXS_decoys.pdbqt | data/5P/5P9V-CXS/5P9V-CXS_decoy_scores.csv |
5PAU-7ZJ | data/5P/5PAU-7ZJ/5PAU-7ZJ_ligand.pdbqt | data/5P/5PAU-7ZJ/5PAU-7ZJ_target.pdbqt | data/5P/5PAU-7ZJ/5PAU-7ZJ_decoys.pdbqt | data/5P/5PAU-7ZJ/5PAU-7ZJ_decoy_scores.csv |
5PA7-7JX | data/5P/5PA7-7JX/5PA7-7JX_ligand.pdbqt | data/5P/5PA7-7JX/5PA7-7JX_target.pdbqt | data/5P/5PA7-7JX/5PA7-7JX_decoys.pdbqt | data/5P/5PA7-7JX/5PA7-7JX_decoy_scores.csv |
5PGY-8KG | data/5P/5PGY-8KG/5PGY-8KG_ligand.pdbqt | data/5P/5PGY-8KG/5PGY-8KG_target.pdbqt | data/5P/5PGY-8KG/5PGY-8KG_decoys.pdbqt | data/5P/5PGY-8KG/5PGY-8KG_decoy_scores.csv |
5P90-NHE | data/5P/5P90-NHE/5P90-NHE_ligand.pdbqt | data/5P/5P90-NHE/5P90-NHE_target.pdbqt | data/5P/5P90-NHE/5P90-NHE_decoys.pdbqt | data/5P/5P90-NHE/5P90-NHE_decoy_scores.csv |
5PB5-9RY | data/5P/5PB5-9RY/5PB5-9RY_ligand.pdbqt | data/5P/5PB5-9RY/5PB5-9RY_target.pdbqt | data/5P/5PB5-9RY/5PB5-9RY_decoys.pdbqt | data/5P/5PB5-9RY/5PB5-9RY_decoy_scores.csv |
5P8Z-766 | data/5P/5P8Z-766/5P8Z-766_ligand.pdbqt | data/5P/5P8Z-766/5P8Z-766_target.pdbqt | data/5P/5P8Z-766/5P8Z-766_decoys.pdbqt | data/5P/5P8Z-766/5P8Z-766_decoy_scores.csv |
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