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 ⌀ |
|---|---|---|---|---|
3E5S-THP | data/3E/3E5S-THP/3E5S-THP_ligand.pdbqt | data/3E/3E5S-THP/3E5S-THP_target.pdbqt | data/3E/3E5S-THP/3E5S-THP_decoys.pdbqt | data/3E/3E5S-THP/3E5S-THP_decoy_scores.csv |
3EJ5-EJ5 | data/3E/3EJ5-EJ5/3EJ5-EJ5_ligand.pdbqt | data/3E/3EJ5-EJ5/3EJ5-EJ5_target.pdbqt | data/3E/3EJ5-EJ5/3EJ5-EJ5_decoys.pdbqt | data/3E/3EJ5-EJ5/3EJ5-EJ5_decoy_scores.csv |
3E9R-ADE | data/3E/3E9R-ADE/3E9R-ADE_ligand.pdbqt | data/3E/3E9R-ADE/3E9R-ADE_target.pdbqt | data/3E/3E9R-ADE/3E9R-ADE_decoys.pdbqt | data/3E/3E9R-ADE/3E9R-ADE_decoy_scores.csv |
3EM0-CHD | data/3E/3EM0-CHD/3EM0-CHD_ligand.pdbqt | data/3E/3EM0-CHD/3EM0-CHD_target.pdbqt | data/3E/3EM0-CHD/3EM0-CHD_decoys.pdbqt | data/3E/3EM0-CHD/3EM0-CHD_decoy_scores.csv |
3ETG-GWD | data/3E/3ETG-GWD/3ETG-GWD_ligand.pdbqt | data/3E/3ETG-GWD/3ETG-GWD_target.pdbqt | data/3E/3ETG-GWD/3ETG-GWD_decoys.pdbqt | data/3E/3ETG-GWD/3ETG-GWD_decoy_scores.csv |
3ENE-NPZ | data/3E/3ENE-NPZ/3ENE-NPZ_ligand.pdbqt | data/3E/3ENE-NPZ/3ENE-NPZ_target.pdbqt | data/3E/3ENE-NPZ/3ENE-NPZ_decoys.pdbqt | data/3E/3ENE-NPZ/3ENE-NPZ_decoy_scores.csv |
3E3E-P6G | data/3E/3E3E-P6G/3E3E-P6G_ligand.pdbqt | data/3E/3E3E-P6G/3E3E-P6G_target.pdbqt | data/3E/3E3E-P6G/3E3E-P6G_decoys.pdbqt | data/3E/3E3E-P6G/3E3E-P6G_decoy_scores.csv |
3ERN-CAR | data/3E/3ERN-CAR/3ERN-CAR_ligand.pdbqt | data/3E/3ERN-CAR/3ERN-CAR_target.pdbqt | data/3E/3ERN-CAR/3ERN-CAR_decoys.pdbqt | data/3E/3ERN-CAR/3ERN-CAR_decoy_scores.csv |
3ETH-ATP | data/3E/3ETH-ATP/3ETH-ATP_ligand.pdbqt | data/3E/3ETH-ATP/3ETH-ATP_target.pdbqt | data/3E/3ETH-ATP/3ETH-ATP_decoys.pdbqt | data/3E/3ETH-ATP/3ETH-ATP_decoy_scores.csv |
3ELW-SAM | data/3E/3ELW-SAM/3ELW-SAM_ligand.pdbqt | data/3E/3ELW-SAM/3ELW-SAM_target.pdbqt | data/3E/3ELW-SAM/3ELW-SAM_decoys.pdbqt | data/3E/3ELW-SAM/3ELW-SAM_decoy_scores.csv |
3ERO-THP | data/3E/3ERO-THP/3ERO-THP_ligand.pdbqt | data/3E/3ERO-THP/3ERO-THP_target.pdbqt | data/3E/3ERO-THP/3ERO-THP_decoys.pdbqt | data/3E/3ERO-THP/3ERO-THP_decoy_scores.csv |
3ED1-GA3 | data/3E/3ED1-GA3/3ED1-GA3_ligand.pdbqt | data/3E/3ED1-GA3/3ED1-GA3_target.pdbqt | data/3E/3ED1-GA3/3ED1-GA3_decoys.pdbqt | data/3E/3ED1-GA3/3ED1-GA3_decoy_scores.csv |
3ESL-NHE | data/3E/3ESL-NHE/3ESL-NHE_ligand.pdbqt | data/3E/3ESL-NHE/3ESL-NHE_target.pdbqt | data/3E/3ESL-NHE/3ESL-NHE_decoys.pdbqt | data/3E/3ESL-NHE/3ESL-NHE_decoy_scores.csv |
3E93-19B | data/3E/3E93-19B/3E93-19B_ligand.pdbqt | data/3E/3E93-19B/3E93-19B_target.pdbqt | data/3E/3E93-19B/3E93-19B_decoys.pdbqt | data/3E/3E93-19B/3E93-19B_decoy_scores.csv |
3EQG-ADP | data/3E/3EQG-ADP/3EQG-ADP_ligand.pdbqt | data/3E/3EQG-ADP/3EQG-ADP_target.pdbqt | data/3E/3EQG-ADP/3EQG-ADP_decoys.pdbqt | data/3E/3EQG-ADP/3EQG-ADP_decoy_scores.csv |
3EDZ-550 | data/3E/3EDZ-550/3EDZ-550_ligand.pdbqt | data/3E/3EDZ-550/3EDZ-550_target.pdbqt | data/3E/3EDZ-550/3EDZ-550_decoys.pdbqt | data/3E/3EDZ-550/3EDZ-550_decoy_scores.csv |
3ENA-DGI | data/3E/3ENA-DGI/3ENA-DGI_ligand.pdbqt | data/3E/3ENA-DGI/3ENA-DGI_target.pdbqt | data/3E/3ENA-DGI/3ENA-DGI_decoys.pdbqt | data/3E/3ENA-DGI/3ENA-DGI_decoy_scores.csv |
3E3D-I3C | data/3E/3E3D-I3C/3E3D-I3C_ligand.pdbqt | data/3E/3E3D-I3C/3E3D-I3C_target.pdbqt | data/3E/3E3D-I3C/3E3D-I3C_decoys.pdbqt | data/3E/3E3D-I3C/3E3D-I3C_decoy_scores.csv |
3E6N-AS3 | data/3E/3E6N-AS3/3E6N-AS3_ligand.pdbqt | data/3E/3E6N-AS3/3E6N-AS3_target.pdbqt | data/3E/3E6N-AS3/3E6N-AS3_decoys.pdbqt | data/3E/3E6N-AS3/3E6N-AS3_decoy_scores.csv |
3EPN-IRN | data/3E/3EPN-IRN/3EPN-IRN_ligand.pdbqt | data/3E/3EPN-IRN/3EPN-IRN_target.pdbqt | data/3E/3EPN-IRN/3EPN-IRN_decoys.pdbqt | data/3E/3EPN-IRN/3EPN-IRN_decoy_scores.csv |
3EJB-HTG | data/3E/3EJB-HTG/3EJB-HTG_ligand.pdbqt | data/3E/3EJB-HTG/3EJB-HTG_target.pdbqt | data/3E/3EJB-HTG/3EJB-HTG_decoys.pdbqt | data/3E/3EJB-HTG/3EJB-HTG_decoy_scores.csv |
3EQP-T95 | data/3E/3EQP-T95/3EQP-T95_ligand.pdbqt | data/3E/3EQP-T95/3EQP-T95_target.pdbqt | data/3E/3EQP-T95/3EQP-T95_decoys.pdbqt | data/3E/3EQP-T95/3EQP-T95_decoy_scores.csv |
3EIC-UDP | data/3E/3EIC-UDP/3EIC-UDP_ligand.pdbqt | data/3E/3EIC-UDP/3EIC-UDP_target.pdbqt | data/3E/3EIC-UDP/3EIC-UDP_decoys.pdbqt | data/3E/3EIC-UDP/3EIC-UDP_decoy_scores.csv |
3E3U-NVC | data/3E/3E3U-NVC/3E3U-NVC_ligand.pdbqt | data/3E/3E3U-NVC/3E3U-NVC_target.pdbqt | data/3E/3E3U-NVC/3E3U-NVC_decoys.pdbqt | data/3E/3E3U-NVC/3E3U-NVC_decoy_scores.csv |
3EE2-NZO | data/3E/3EE2-NZO/3EE2-NZO_ligand.pdbqt | data/3E/3EE2-NZO/3EE2-NZO_target.pdbqt | data/3E/3EE2-NZO/3EE2-NZO_decoys.pdbqt | data/3E/3EE2-NZO/3EE2-NZO_decoy_scores.csv |
3EQH-5BM | data/3E/3EQH-5BM/3EQH-5BM_ligand.pdbqt | data/3E/3EQH-5BM/3EQH-5BM_target.pdbqt | data/3E/3EQH-5BM/3EQH-5BM_decoys.pdbqt | data/3E/3EQH-5BM/3EQH-5BM_decoy_scores.csv |
3EW9-ANP | data/3E/3EW9-ANP/3EW9-ANP_ligand.pdbqt | data/3E/3EW9-ANP/3EW9-ANP_target.pdbqt | data/3E/3EW9-ANP/3EW9-ANP_decoys.pdbqt | data/3E/3EW9-ANP/3EW9-ANP_decoy_scores.csv |
3EPE-GLU | data/3E/3EPE-GLU/3EPE-GLU_ligand.pdbqt | data/3E/3EPE-GLU/3EPE-GLU_target.pdbqt | data/3E/3EPE-GLU/3EPE-GLU_decoys.pdbqt | data/3E/3EPE-GLU/3EPE-GLU_decoy_scores.csv |
3EBO-57D | data/3E/3EBO-57D/3EBO-57D_ligand.pdbqt | data/3E/3EBO-57D/3EBO-57D_target.pdbqt | data/3E/3EBO-57D/3EBO-57D_decoys.pdbqt | data/3E/3EBO-57D/3EBO-57D_decoy_scores.csv |
3EW8-B3N | data/3E/3EW8-B3N/3EW8-B3N_ligand.pdbqt | data/3E/3EW8-B3N/3EW8-B3N_target.pdbqt | data/3E/3EW8-B3N/3EW8-B3N_decoys.pdbqt | data/3E/3EW8-B3N/3EW8-B3N_decoy_scores.csv |
3EAH-327 | data/3E/3EAH-327/3EAH-327_ligand.pdbqt | data/3E/3EAH-327/3EAH-327_target.pdbqt | data/3E/3EAH-327/3EAH-327_decoys.pdbqt | data/3E/3EAH-327/3EAH-327_decoy_scores.csv |
3EKN-GS3 | data/3E/3EKN-GS3/3EKN-GS3_ligand.pdbqt | data/3E/3EKN-GS3/3EKN-GS3_target.pdbqt | data/3E/3EKN-GS3/3EKN-GS3_decoys.pdbqt | data/3E/3EKN-GS3/3EKN-GS3_decoy_scores.csv |
3EZL-P4C | data/3E/3EZL-P4C/3EZL-P4C_ligand.pdbqt | data/3E/3EZL-P4C/3EZL-P4C_target.pdbqt | data/3E/3EZL-P4C/3EZL-P4C_decoys.pdbqt | data/3E/3EZL-P4C/3EZL-P4C_decoy_scores.csv |
3E5X-3C4 | data/3E/3E5X-3C4/3E5X-3C4_ligand.pdbqt | data/3E/3E5X-3C4/3E5X-3C4_target.pdbqt | data/3E/3E5X-3C4/3E5X-3C4_decoys.pdbqt | data/3E/3E5X-3C4/3E5X-3C4_decoy_scores.csv |
3EJT-HN6 | data/3E/3EJT-HN6/3EJT-HN6_ligand.pdbqt | data/3E/3EJT-HN6/3EJT-HN6_target.pdbqt | data/3E/3EJT-HN6/3EJT-HN6_decoys.pdbqt | data/3E/3EJT-HN6/3EJT-HN6_decoy_scores.csv |
3EVO-TYD | data/3E/3EVO-TYD/3EVO-TYD_ligand.pdbqt | data/3E/3EVO-TYD/3EVO-TYD_target.pdbqt | data/3E/3EVO-TYD/3EVO-TYD_decoys.pdbqt | data/3E/3EVO-TYD/3EVO-TYD_decoy_scores.csv |
3EEB-IHP | data/3E/3EEB-IHP/3EEB-IHP_ligand.pdbqt | data/3E/3EEB-IHP/3EEB-IHP_target.pdbqt | data/3E/3EEB-IHP/3EEB-IHP_decoys.pdbqt | data/3E/3EEB-IHP/3EEB-IHP_decoy_scores.csv |
3EVM-YYY | data/3E/3EVM-YYY/3EVM-YYY_ligand.pdbqt | data/3E/3EVM-YYY/3EVM-YYY_target.pdbqt | data/3E/3EVM-YYY/3EVM-YYY_decoys.pdbqt | data/3E/3EVM-YYY/3EVM-YYY_decoy_scores.csv |
3EWX-BMP | data/3E/3EWX-BMP/3EWX-BMP_ligand.pdbqt | data/3E/3EWX-BMP/3EWX-BMP_target.pdbqt | data/3E/3EWX-BMP/3EWX-BMP_decoys.pdbqt | data/3E/3EWX-BMP/3EWX-BMP_decoy_scores.csv |
3ESX-FMN | data/3E/3ESX-FMN/3ESX-FMN_ligand.pdbqt | data/3E/3ESX-FMN/3ESX-FMN_target.pdbqt | data/3E/3ESX-FMN/3ESX-FMN_decoys.pdbqt | data/3E/3ESX-FMN/3ESX-FMN_decoy_scores.csv |
3EJS-HN5 | data/3E/3EJS-HN5/3EJS-HN5_ligand.pdbqt | data/3E/3EJS-HN5/3EJS-HN5_target.pdbqt | data/3E/3EJS-HN5/3EJS-HN5_decoys.pdbqt | data/3E/3EJS-HN5/3EJS-HN5_decoy_scores.csv |
3EVC-GTP | data/3E/3EVC-GTP/3EVC-GTP_ligand.pdbqt | data/3E/3EVC-GTP/3EVC-GTP_target.pdbqt | data/3E/3EVC-GTP/3EVC-GTP_decoys.pdbqt | data/3E/3EVC-GTP/3EVC-GTP_decoy_scores.csv |
3EJ0-11X | data/3E/3EJ0-11X/3EJ0-11X_ligand.pdbqt | data/3E/3EJ0-11X/3EJ0-11X_target.pdbqt | data/3E/3EJ0-11X/3EJ0-11X_decoys.pdbqt | data/3E/3EJ0-11X/3EJ0-11X_decoy_scores.csv |
3ETT-NPO | data/3E/3ETT-NPO/3ETT-NPO_ligand.pdbqt | data/3E/3ETT-NPO/3ETT-NPO_target.pdbqt | data/3E/3ETT-NPO/3ETT-NPO_decoys.pdbqt | data/3E/3ETT-NPO/3ETT-NPO_decoy_scores.csv |
3EZR-EZR | data/3E/3EZR-EZR/3EZR-EZR_ligand.pdbqt | data/3E/3EZR-EZR/3EZR-EZR_target.pdbqt | data/3E/3EZR-EZR/3EZR-EZR_decoys.pdbqt | data/3E/3EZR-EZR/3EZR-EZR_decoy_scores.csv |
3EBF-332 | data/3E/3EBF-332/3EBF-332_ligand.pdbqt | data/3E/3EBF-332/3EBF-332_target.pdbqt | data/3E/3EBF-332/3EBF-332_decoys.pdbqt | data/3E/3EBF-332/3EBF-332_decoy_scores.csv |
3EWU-UEP | data/3E/3EWU-UEP/3EWU-UEP_ligand.pdbqt | data/3E/3EWU-UEP/3EWU-UEP_target.pdbqt | data/3E/3EWU-UEP/3EWU-UEP_decoys.pdbqt | data/3E/3EWU-UEP/3EWU-UEP_decoy_scores.csv |
3EKO-PYU | data/3E/3EKO-PYU/3EKO-PYU_ligand.pdbqt | data/3E/3EKO-PYU/3EKO-PYU_target.pdbqt | data/3E/3EKO-PYU/3EKO-PYU_decoys.pdbqt | data/3E/3EKO-PYU/3EKO-PYU_decoy_scores.csv |
3EAI-328 | data/3E/3EAI-328/3EAI-328_ligand.pdbqt | data/3E/3EAI-328/3EAI-328_target.pdbqt | data/3E/3EAI-328/3EAI-328_decoys.pdbqt | data/3E/3EAI-328/3EAI-328_decoy_scores.csv |
3EXO-5MS | data/3E/3EXO-5MS/3EXO-5MS_ligand.pdbqt | data/3E/3EXO-5MS/3EXO-5MS_target.pdbqt | data/3E/3EXO-5MS/3EXO-5MS_decoys.pdbqt | data/3E/3EXO-5MS/3EXO-5MS_decoy_scores.csv |
3ELA-0Z6 | data/3E/3ELA-0Z6/3ELA-0Z6_ligand.pdbqt | data/3E/3ELA-0Z6/3ELA-0Z6_target.pdbqt | data/3E/3ELA-0Z6/3ELA-0Z6_decoys.pdbqt | data/3E/3ELA-0Z6/3ELA-0Z6_decoy_scores.csv |
3ELH-DUD | data/3E/3ELH-DUD/3ELH-DUD_ligand.pdbqt | data/3E/3ELH-DUD/3ELH-DUD_target.pdbqt | data/3E/3ELH-DUD/3ELH-DUD_decoys.pdbqt | data/3E/3ELH-DUD/3ELH-DUD_decoy_scores.csv |
3E6N-H4B | data/3E/3E6N-H4B/3E6N-H4B_ligand.pdbqt | data/3E/3E6N-H4B/3E6N-H4B_target.pdbqt | data/3E/3E6N-H4B/3E6N-H4B_decoys.pdbqt | data/3E/3E6N-H4B/3E6N-H4B_decoy_scores.csv |
3EEH-PG5 | data/3E/3EEH-PG5/3EEH-PG5_ligand.pdbqt | data/3E/3EEH-PG5/3EEH-PG5_target.pdbqt | data/3E/3EEH-PG5/3EEH-PG5_decoys.pdbqt | data/3E/3EEH-PG5/3EEH-PG5_decoy_scores.csv |
3ET2-ET1 | data/3E/3ET2-ET1/3ET2-ET1_ligand.pdbqt | data/3E/3ET2-ET1/3ET2-ET1_target.pdbqt | data/3E/3ET2-ET1/3ET2-ET1_decoys.pdbqt | data/3E/3ET2-ET1/3ET2-ET1_decoy_scores.csv |
3EPX-IMQ | data/3E/3EPX-IMQ/3EPX-IMQ_ligand.pdbqt | data/3E/3EPX-IMQ/3EPX-IMQ_target.pdbqt | data/3E/3EPX-IMQ/3EPX-IMQ_decoys.pdbqt | data/3E/3EPX-IMQ/3EPX-IMQ_decoy_scores.csv |
3EJB-ZMP | data/3E/3EJB-ZMP/3EJB-ZMP_ligand.pdbqt | data/3E/3EJB-ZMP/3EJB-ZMP_target.pdbqt | data/3E/3EJB-ZMP/3EJB-ZMP_decoys.pdbqt | data/3E/3EJB-ZMP/3EJB-ZMP_decoy_scores.csv |
3E23-SAM | data/3E/3E23-SAM/3E23-SAM_ligand.pdbqt | data/3E/3E23-SAM/3E23-SAM_target.pdbqt | data/3E/3E23-SAM/3E23-SAM_decoys.pdbqt | data/3E/3E23-SAM/3E23-SAM_decoy_scores.csv |
3ETL-ANP | data/3E/3ETL-ANP/3ETL-ANP_ligand.pdbqt | data/3E/3ETL-ANP/3ETL-ANP_target.pdbqt | data/3E/3ETL-ANP/3ETL-ANP_decoys.pdbqt | data/3E/3ETL-ANP/3ETL-ANP_decoy_scores.csv |
3EJE-ZMO | data/3E/3EJE-ZMO/3EJE-ZMO_ligand.pdbqt | data/3E/3EJE-ZMO/3EJE-ZMO_target.pdbqt | data/3E/3EJE-ZMO/3EJE-ZMO_decoys.pdbqt | data/3E/3EJE-ZMO/3EJE-ZMO_decoy_scores.csv |
3ECG-065 | data/3E/3ECG-065/3ECG-065_ligand.pdbqt | data/3E/3ECG-065/3ECG-065_target.pdbqt | data/3E/3ECG-065/3ECG-065_decoys.pdbqt | data/3E/3ECG-065/3ECG-065_decoy_scores.csv |
3EA0-ATP | data/3E/3EA0-ATP/3EA0-ATP_ligand.pdbqt | data/3E/3EA0-ATP/3EA0-ATP_target.pdbqt | data/3E/3EA0-ATP/3EA0-ATP_decoys.pdbqt | data/3E/3EA0-ATP/3EA0-ATP_decoy_scores.csv |
3EZ2-ADP | data/3E/3EZ2-ADP/3EZ2-ADP_ligand.pdbqt | data/3E/3EZ2-ADP/3EZ2-ADP_target.pdbqt | data/3E/3EZ2-ADP/3EZ2-ADP_decoys.pdbqt | data/3E/3EZ2-ADP/3EZ2-ADP_decoy_scores.csv |
3EQI-ADP | data/3E/3EQI-ADP/3EQI-ADP_ligand.pdbqt | data/3E/3EQI-ADP/3EQI-ADP_target.pdbqt | data/3E/3EQI-ADP/3EQI-ADP_decoys.pdbqt | data/3E/3EQI-ADP/3EQI-ADP_decoy_scores.csv |
3EGK-M18 | data/3E/3EGK-M18/3EGK-M18_ligand.pdbqt | data/3E/3EGK-M18/3EGK-M18_target.pdbqt | data/3E/3EGK-M18/3EGK-M18_decoys.pdbqt | data/3E/3EGK-M18/3EGK-M18_decoy_scores.csv |
3EPP-SFG | data/3E/3EPP-SFG/3EPP-SFG_ligand.pdbqt | data/3E/3EPP-SFG/3EPP-SFG_target.pdbqt | data/3E/3EPP-SFG/3EPP-SFG_decoys.pdbqt | data/3E/3EPP-SFG/3EPP-SFG_decoy_scores.csv |
3EM1-TYD | data/3E/3EM1-TYD/3EM1-TYD_ligand.pdbqt | data/3E/3EM1-TYD/3EM1-TYD_target.pdbqt | data/3E/3EM1-TYD/3EM1-TYD_decoys.pdbqt | data/3E/3EM1-TYD/3EM1-TYD_decoy_scores.csv |
3EI9-PL6 | data/3E/3EI9-PL6/3EI9-PL6_ligand.pdbqt | data/3E/3EI9-PL6/3EI9-PL6_target.pdbqt | data/3E/3EI9-PL6/3EI9-PL6_decoys.pdbqt | data/3E/3EI9-PL6/3EI9-PL6_decoy_scores.csv |
3E62-5B1 | data/3E/3E62-5B1/3E62-5B1_ligand.pdbqt | data/3E/3E62-5B1/3E62-5B1_target.pdbqt | data/3E/3E62-5B1/3E62-5B1_decoys.pdbqt | data/3E/3E62-5B1/3E62-5B1_decoy_scores.csv |
3EU9-HIS | data/3E/3EU9-HIS/3EU9-HIS_ligand.pdbqt | data/3E/3EU9-HIS/3EU9-HIS_target.pdbqt | data/3E/3EU9-HIS/3EU9-HIS_decoys.pdbqt | data/3E/3EU9-HIS/3EU9-HIS_decoy_scores.csv |
3EFT-3BS | data/3E/3EFT-3BS/3EFT-3BS_ligand.pdbqt | data/3E/3EFT-3BS/3EFT-3BS_target.pdbqt | data/3E/3EFT-3BS/3EFT-3BS_decoys.pdbqt | data/3E/3EFT-3BS/3EFT-3BS_decoy_scores.csv |
3E90-NKK | data/3E/3E90-NKK/3E90-NKK_ligand.pdbqt | data/3E/3E90-NKK/3E90-NKK_target.pdbqt | data/3E/3E90-NKK/3E90-NKK_decoys.pdbqt | data/3E/3E90-NKK/3E90-NKK_decoy_scores.csv |
3EEM-53V | data/3E/3EEM-53V/3EEM-53V_ligand.pdbqt | data/3E/3EEM-53V/3EEM-53V_target.pdbqt | data/3E/3EEM-53V/3EEM-53V_decoys.pdbqt | data/3E/3EEM-53V/3EEM-53V_decoy_scores.csv |
3EFK-MT4 | data/3E/3EFK-MT4/3EFK-MT4_ligand.pdbqt | data/3E/3EFK-MT4/3EFK-MT4_target.pdbqt | data/3E/3EFK-MT4/3EFK-MT4_decoys.pdbqt | data/3E/3EFK-MT4/3EFK-MT4_decoy_scores.csv |
3EMN-MC3 | data/3E/3EMN-MC3/3EMN-MC3_ligand.pdbqt | data/3E/3EMN-MC3/3EMN-MC3_target.pdbqt | data/3E/3EMN-MC3/3EMN-MC3_decoys.pdbqt | data/3E/3EMN-MC3/3EMN-MC3_decoy_scores.csv |
3EFL-706 | data/3E/3EFL-706/3EFL-706_ligand.pdbqt | data/3E/3EFL-706/3EFL-706_target.pdbqt | data/3E/3EFL-706/3EFL-706_decoys.pdbqt | data/3E/3EFL-706/3EFL-706_decoy_scores.csv |
3E34-FPP | data/3E/3E34-FPP/3E34-FPP_ligand.pdbqt | data/3E/3E34-FPP/3E34-FPP_target.pdbqt | data/3E/3E34-FPP/3E34-FPP_decoys.pdbqt | data/3E/3E34-FPP/3E34-FPP_decoy_scores.csv |
3EWJ-INN | data/3E/3EWJ-INN/3EWJ-INN_ligand.pdbqt | data/3E/3EWJ-INN/3EWJ-INN_target.pdbqt | data/3E/3EWJ-INN/3EWJ-INN_decoys.pdbqt | data/3E/3EWJ-INN/3EWJ-INN_decoy_scores.csv |
3EEY-SAM | data/3E/3EEY-SAM/3EEY-SAM_ligand.pdbqt | data/3E/3EEY-SAM/3EEY-SAM_target.pdbqt | data/3E/3EEY-SAM/3EEY-SAM_decoys.pdbqt | data/3E/3EEY-SAM/3EEY-SAM_decoy_scores.csv |
3EJD-HTG | data/3E/3EJD-HTG/3EJD-HTG_ligand.pdbqt | data/3E/3EJD-HTG/3EJD-HTG_target.pdbqt | data/3E/3EJD-HTG/3EJD-HTG_decoys.pdbqt | data/3E/3EJD-HTG/3EJD-HTG_decoy_scores.csv |
3E30-ED4 | data/3E/3E30-ED4/3E30-ED4_ligand.pdbqt | data/3E/3E30-ED4/3E30-ED4_target.pdbqt | data/3E/3E30-ED4/3E30-ED4_decoys.pdbqt | data/3E/3E30-ED4/3E30-ED4_decoy_scores.csv |
3EJX-ZDP | data/3E/3EJX-ZDP/3EJX-ZDP_ligand.pdbqt | data/3E/3EJX-ZDP/3EJX-ZDP_target.pdbqt | data/3E/3EJX-ZDP/3EJX-ZDP_decoys.pdbqt | data/3E/3EJX-ZDP/3EJX-ZDP_decoy_scores.csv |
3EH9-ADP | data/3E/3EH9-ADP/3EH9-ADP_ligand.pdbqt | data/3E/3EH9-ADP/3EH9-ADP_target.pdbqt | data/3E/3EH9-ADP/3EH9-ADP_decoys.pdbqt | data/3E/3EH9-ADP/3EH9-ADP_decoy_scores.csv |
3EGT-722 | data/3E/3EGT-722/3EGT-722_ligand.pdbqt | data/3E/3EGT-722/3EGT-722_target.pdbqt | data/3E/3EGT-722/3EGT-722_decoys.pdbqt | data/3E/3EGT-722/3EGT-722_decoy_scores.csv |
3E5R-NAD | data/3E/3E5R-NAD/3E5R-NAD_ligand.pdbqt | data/3E/3E5R-NAD/3E5R-NAD_target.pdbqt | data/3E/3E5R-NAD/3E5R-NAD_decoys.pdbqt | data/3E/3E5R-NAD/3E5R-NAD_decoy_scores.csv |
3EAU-PDN | data/3E/3EAU-PDN/3EAU-PDN_ligand.pdbqt | data/3E/3EAU-PDN/3EAU-PDN_target.pdbqt | data/3E/3EAU-PDN/3EAU-PDN_decoys.pdbqt | data/3E/3EAU-PDN/3EAU-PDN_decoy_scores.csv |
3ENW-5RP | data/3E/3ENW-5RP/3ENW-5RP_ligand.pdbqt | data/3E/3ENW-5RP/3ENW-5RP_target.pdbqt | data/3E/3ENW-5RP/3ENW-5RP_decoys.pdbqt | data/3E/3ENW-5RP/3ENW-5RP_decoy_scores.csv |
3EWA-ANP | data/3E/3EWA-ANP/3EWA-ANP_ligand.pdbqt | data/3E/3EWA-ANP/3EWA-ANP_target.pdbqt | data/3E/3EWA-ANP/3EWA-ANP_decoys.pdbqt | data/3E/3EWA-ANP/3EWA-ANP_decoy_scores.csv |
3E10-FMN | data/3E/3E10-FMN/3E10-FMN_ligand.pdbqt | data/3E/3E10-FMN/3E10-FMN_target.pdbqt | data/3E/3E10-FMN/3E10-FMN_decoys.pdbqt | data/3E/3E10-FMN/3E10-FMN_decoy_scores.csv |
3EHG-ATP | data/3E/3EHG-ATP/3EHG-ATP_ligand.pdbqt | data/3E/3EHG-ATP/3EHG-ATP_target.pdbqt | data/3E/3EHG-ATP/3EHG-ATP_decoys.pdbqt | data/3E/3EHG-ATP/3EHG-ATP_decoy_scores.csv |
3EB4-PDN | data/3E/3EB4-PDN/3EB4-PDN_ligand.pdbqt | data/3E/3EB4-PDN/3EB4-PDN_target.pdbqt | data/3E/3EB4-PDN/3EB4-PDN_decoys.pdbqt | data/3E/3EB4-PDN/3EB4-PDN_decoy_scores.csv |
3EOU-PK3 | data/3E/3EOU-PK3/3EOU-PK3_ligand.pdbqt | data/3E/3EOU-PK3/3EOU-PK3_target.pdbqt | data/3E/3EOU-PK3/3EOU-PK3_decoys.pdbqt | data/3E/3EOU-PK3/3EOU-PK3_decoy_scores.csv |
3E88-G96 | data/3E/3E88-G96/3E88-G96_ligand.pdbqt | data/3E/3E88-G96/3E88-G96_target.pdbqt | data/3E/3E88-G96/3E88-G96_decoys.pdbqt | data/3E/3E88-G96/3E88-G96_decoy_scores.csv |
3EFS-BTN | data/3E/3EFS-BTN/3EFS-BTN_ligand.pdbqt | data/3E/3EFS-BTN/3EFS-BTN_target.pdbqt | data/3E/3EFS-BTN/3EFS-BTN_decoys.pdbqt | data/3E/3EFS-BTN/3EFS-BTN_decoy_scores.csv |
3ETN-CMK | data/3E/3ETN-CMK/3ETN-CMK_ligand.pdbqt | data/3E/3ETN-CMK/3ETN-CMK_target.pdbqt | data/3E/3ETN-CMK/3ETN-CMK_decoys.pdbqt | data/3E/3ETN-CMK/3ETN-CMK_decoy_scores.csv |
3E68-H4B | data/3E/3E68-H4B/3E68-H4B_ligand.pdbqt | data/3E/3E68-H4B/3E68-H4B_target.pdbqt | data/3E/3E68-H4B/3E68-H4B_decoys.pdbqt | data/3E/3E68-H4B/3E68-H4B_decoy_scores.csv |
3E51-N35 | data/3E/3E51-N35/3E51-N35_ligand.pdbqt | data/3E/3E51-N35/3E51-N35_target.pdbqt | data/3E/3E51-N35/3E51-N35_decoys.pdbqt | data/3E/3E51-N35/3E51-N35_decoy_scores.csv |
3E6L-A11 | data/3E/3E6L-A11/3E6L-A11_ligand.pdbqt | data/3E/3E6L-A11/3E6L-A11_target.pdbqt | data/3E/3E6L-A11/3E6L-A11_decoys.pdbqt | data/3E/3E6L-A11/3E6L-A11_decoy_scores.csv |
3ECK-XXG | data/3E/3ECK-XXG/3ECK-XXG_ligand.pdbqt | data/3E/3ECK-XXG/3ECK-XXG_target.pdbqt | data/3E/3ECK-XXG/3ECK-XXG_decoys.pdbqt | data/3E/3ECK-XXG/3ECK-XXG_decoy_scores.csv |
3ET0-ET0 | data/3E/3ET0-ET0/3ET0-ET0_ligand.pdbqt | data/3E/3ET0-ET0/3ET0-ET0_target.pdbqt | data/3E/3ET0-ET0/3ET0-ET0_decoys.pdbqt | data/3E/3ET0-ET0/3ET0-ET0_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.