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 ⌀ |
|---|---|---|---|---|
4EIY-OLA | data/4E/4EIY-OLA/4EIY-OLA_ligand.pdbqt | data/4E/4EIY-OLA/4EIY-OLA_target.pdbqt | data/4E/4EIY-OLA/4EIY-OLA_decoys.pdbqt | data/4E/4EIY-OLA/4EIY-OLA_decoy_scores.csv |
4ENH-FVX | data/4E/4ENH-FVX/4ENH-FVX_ligand.pdbqt | data/4E/4ENH-FVX/4ENH-FVX_target.pdbqt | data/4E/4ENH-FVX/4ENH-FVX_decoys.pdbqt | data/4E/4ENH-FVX/4ENH-FVX_decoy_scores.csv |
4E99-P8S | data/4E/4E99-P8S/4E99-P8S_ligand.pdbqt | data/4E/4E99-P8S/4E99-P8S_target.pdbqt | data/4E/4E99-P8S/4E99-P8S_decoys.pdbqt | data/4E/4E99-P8S/4E99-P8S_decoy_scores.csv |
4EQO-THP | data/4E/4EQO-THP/4EQO-THP_ligand.pdbqt | data/4E/4EQO-THP/4EQO-THP_target.pdbqt | data/4E/4EQO-THP/4EQO-THP_decoys.pdbqt | data/4E/4EQO-THP/4EQO-THP_decoy_scores.csv |
4EOO-ATP | data/4E/4EOO-ATP/4EOO-ATP_ligand.pdbqt | data/4E/4EOO-ATP/4EOO-ATP_target.pdbqt | data/4E/4EOO-ATP/4EOO-ATP_decoys.pdbqt | data/4E/4EOO-ATP/4EOO-ATP_decoy_scores.csv |
4EJG-NCT | data/4E/4EJG-NCT/4EJG-NCT_ligand.pdbqt | data/4E/4EJG-NCT/4EJG-NCT_target.pdbqt | data/4E/4EJG-NCT/4EJG-NCT_decoys.pdbqt | data/4E/4EJG-NCT/4EJG-NCT_decoy_scores.csv |
4EDT-BEN | data/4E/4EDT-BEN/4EDT-BEN_ligand.pdbqt | data/4E/4EDT-BEN/4EDT-BEN_target.pdbqt | data/4E/4EDT-BEN/4EDT-BEN_decoys.pdbqt | data/4E/4EDT-BEN/4EDT-BEN_decoy_scores.csv |
4E7Z-ADP | data/4E/4E7Z-ADP/4E7Z-ADP_ligand.pdbqt | data/4E/4E7Z-ADP/4E7Z-ADP_target.pdbqt | null | null |
4E28-9MZ | data/4E/4E28-9MZ/4E28-9MZ_ligand.pdbqt | data/4E/4E28-9MZ/4E28-9MZ_target.pdbqt | data/4E/4E28-9MZ/4E28-9MZ_decoys.pdbqt | data/4E/4E28-9MZ/4E28-9MZ_decoy_scores.csv |
4EH5-IRG | data/4E/4EH5-IRG/4EH5-IRG_ligand.pdbqt | data/4E/4EH5-IRG/4EH5-IRG_target.pdbqt | data/4E/4EH5-IRG/4EH5-IRG_decoys.pdbqt | data/4E/4EH5-IRG/4EH5-IRG_decoy_scores.csv |
4EXS-X8Z | data/4E/4EXS-X8Z/4EXS-X8Z_ligand.pdbqt | data/4E/4EXS-X8Z/4EXS-X8Z_target.pdbqt | data/4E/4EXS-X8Z/4EXS-X8Z_decoys.pdbqt | data/4E/4EXS-X8Z/4EXS-X8Z_decoy_scores.csv |
4EAX-S12 | data/4E/4EAX-S12/4EAX-S12_ligand.pdbqt | data/4E/4EAX-S12/4EAX-S12_target.pdbqt | data/4E/4EAX-S12/4EAX-S12_decoys.pdbqt | data/4E/4EAX-S12/4EAX-S12_decoy_scores.csv |
4EF6-I2E | data/4E/4EF6-I2E/4EF6-I2E_ligand.pdbqt | data/4E/4EF6-I2E/4EF6-I2E_target.pdbqt | data/4E/4EF6-I2E/4EF6-I2E_decoys.pdbqt | data/4E/4EF6-I2E/4EF6-I2E_decoy_scores.csv |
4EW3-DXZ | data/4E/4EW3-DXZ/4EW3-DXZ_ligand.pdbqt | data/4E/4EW3-DXZ/4EW3-DXZ_target.pdbqt | data/4E/4EW3-DXZ/4EW3-DXZ_decoys.pdbqt | data/4E/4EW3-DXZ/4EW3-DXZ_decoy_scores.csv |
4EVS-PHB | data/4E/4EVS-PHB/4EVS-PHB_ligand.pdbqt | data/4E/4EVS-PHB/4EVS-PHB_target.pdbqt | data/4E/4EVS-PHB/4EVS-PHB_decoys.pdbqt | data/4E/4EVS-PHB/4EVS-PHB_decoy_scores.csv |
4EJN-0R4 | data/4E/4EJN-0R4/4EJN-0R4_ligand.pdbqt | data/4E/4EJN-0R4/4EJN-0R4_target.pdbqt | data/4E/4EJN-0R4/4EJN-0R4_decoys.pdbqt | data/4E/4EJN-0R4/4EJN-0R4_decoy_scores.csv |
4EDH-TMP | data/4E/4EDH-TMP/4EDH-TMP_ligand.pdbqt | data/4E/4EDH-TMP/4EDH-TMP_target.pdbqt | data/4E/4EDH-TMP/4EDH-TMP_decoys.pdbqt | data/4E/4EDH-TMP/4EDH-TMP_decoy_scores.csv |
4EDK-BEN | data/4E/4EDK-BEN/4EDK-BEN_ligand.pdbqt | data/4E/4EDK-BEN/4EDK-BEN_target.pdbqt | data/4E/4EDK-BEN/4EDK-BEN_decoys.pdbqt | data/4E/4EDK-BEN/4EDK-BEN_decoy_scores.csv |
4EAW-0NQ | data/4E/4EAW-0NQ/4EAW-0NQ_ligand.pdbqt | data/4E/4EAW-0NQ/4EAW-0NQ_target.pdbqt | data/4E/4EAW-0NQ/4EAW-0NQ_decoys.pdbqt | data/4E/4EAW-0NQ/4EAW-0NQ_decoy_scores.csv |
4E6A-0O9 | data/4E/4E6A-0O9/4E6A-0O9_ligand.pdbqt | data/4E/4E6A-0O9/4E6A-0O9_target.pdbqt | data/4E/4E6A-0O9/4E6A-0O9_decoys.pdbqt | data/4E/4E6A-0O9/4E6A-0O9_decoy_scores.csv |
4ETJ-PE4 | data/4E/4ETJ-PE4/4ETJ-PE4_ligand.pdbqt | data/4E/4ETJ-PE4/4ETJ-PE4_target.pdbqt | data/4E/4ETJ-PE4/4ETJ-PE4_decoys.pdbqt | data/4E/4ETJ-PE4/4ETJ-PE4_decoy_scores.csv |
4E93-GUI | data/4E/4E93-GUI/4E93-GUI_ligand.pdbqt | data/4E/4E93-GUI/4E93-GUI_target.pdbqt | data/4E/4E93-GUI/4E93-GUI_decoys.pdbqt | data/4E/4E93-GUI/4E93-GUI_decoy_scores.csv |
4E9A-QAP | data/4E/4E9A-QAP/4E9A-QAP_ligand.pdbqt | data/4E/4E9A-QAP/4E9A-QAP_target.pdbqt | data/4E/4E9A-QAP/4E9A-QAP_decoys.pdbqt | data/4E/4E9A-QAP/4E9A-QAP_decoy_scores.csv |
4E91-0OF | data/4E/4E91-0OF/4E91-0OF_ligand.pdbqt | data/4E/4E91-0OF/4E91-0OF_target.pdbqt | data/4E/4E91-0OF/4E91-0OF_decoys.pdbqt | data/4E/4E91-0OF/4E91-0OF_decoy_scores.csv |
4EDK-GTP | data/4E/4EDK-GTP/4EDK-GTP_ligand.pdbqt | data/4E/4EDK-GTP/4EDK-GTP_target.pdbqt | data/4E/4EDK-GTP/4EDK-GTP_decoys.pdbqt | data/4E/4EDK-GTP/4EDK-GTP_decoy_scores.csv |
4E3A-ADN | data/4E/4E3A-ADN/4E3A-ADN_ligand.pdbqt | data/4E/4E3A-ADN/4E3A-ADN_target.pdbqt | data/4E/4E3A-ADN/4E3A-ADN_decoys.pdbqt | data/4E/4E3A-ADN/4E3A-ADN_decoy_scores.csv |
4EA7-JB2 | data/4E/4EA7-JB2/4EA7-JB2_ligand.pdbqt | data/4E/4EA7-JB2/4EA7-JB2_target.pdbqt | data/4E/4EA7-JB2/4EA7-JB2_decoys.pdbqt | data/4E/4EA7-JB2/4EA7-JB2_decoy_scores.csv |
4EU0-C2E | data/4E/4EU0-C2E/4EU0-C2E_ligand.pdbqt | data/4E/4EU0-C2E/4EU0-C2E_target.pdbqt | data/4E/4EU0-C2E/4EU0-C2E_decoys.pdbqt | data/4E/4EU0-C2E/4EU0-C2E_decoy_scores.csv |
4ESE-12P | data/4E/4ESE-12P/4ESE-12P_ligand.pdbqt | data/4E/4ESE-12P/4ESE-12P_target.pdbqt | data/4E/4ESE-12P/4ESE-12P_decoys.pdbqt | data/4E/4ESE-12P/4ESE-12P_decoy_scores.csv |
4EH9-IRG | data/4E/4EH9-IRG/4EH9-IRG_ligand.pdbqt | data/4E/4EH9-IRG/4EH9-IRG_target.pdbqt | data/4E/4EH9-IRG/4EH9-IRG_decoys.pdbqt | data/4E/4EH9-IRG/4EH9-IRG_decoy_scores.csv |
4EH7-0OO | data/4E/4EH7-0OO/4EH7-0OO_ligand.pdbqt | data/4E/4EH7-0OO/4EH7-0OO_target.pdbqt | data/4E/4EH7-0OO/4EH7-0OO_decoys.pdbqt | data/4E/4EH7-0OO/4EH7-0OO_decoy_scores.csv |
4EF9-FMN | data/4E/4EF9-FMN/4EF9-FMN_ligand.pdbqt | data/4E/4EF9-FMN/4EF9-FMN_target.pdbqt | data/4E/4EF9-FMN/4EF9-FMN_decoys.pdbqt | data/4E/4EF9-FMN/4EF9-FMN_decoy_scores.csv |
4ER7-AW3 | data/4E/4ER7-AW3/4ER7-AW3_ligand.pdbqt | data/4E/4ER7-AW3/4ER7-AW3_target.pdbqt | data/4E/4ER7-AW3/4ER7-AW3_decoys.pdbqt | data/4E/4ER7-AW3/4ER7-AW3_decoy_scores.csv |
4EPW-0QV | data/4E/4EPW-0QV/4EPW-0QV_ligand.pdbqt | data/4E/4EPW-0QV/4EPW-0QV_target.pdbqt | data/4E/4EPW-0QV/4EPW-0QV_decoys.pdbqt | data/4E/4EPW-0QV/4EPW-0QV_decoy_scores.csv |
4EAD-0NP | data/4E/4EAD-0NP/4EAD-0NP_ligand.pdbqt | data/4E/4EAD-0NP/4EAD-0NP_target.pdbqt | data/4E/4EAD-0NP/4EAD-0NP_decoys.pdbqt | data/4E/4EAD-0NP/4EAD-0NP_decoy_scores.csv |
4EQC-XR1 | data/4E/4EQC-XR1/4EQC-XR1_ligand.pdbqt | data/4E/4EQC-XR1/4EQC-XR1_target.pdbqt | data/4E/4EQC-XR1/4EQC-XR1_decoys.pdbqt | data/4E/4EQC-XR1/4EQC-XR1_decoy_scores.csv |
4E4M-0NH | data/4E/4E4M-0NH/4E4M-0NH_ligand.pdbqt | data/4E/4E4M-0NH/4E4M-0NH_target.pdbqt | data/4E/4E4M-0NH/4E4M-0NH_decoys.pdbqt | data/4E/4E4M-0NH/4E4M-0NH_decoy_scores.csv |
4E0K-PE4 | data/4E/4E0K-PE4/4E0K-PE4_ligand.pdbqt | data/4E/4E0K-PE4/4E0K-PE4_target.pdbqt | data/4E/4E0K-PE4/4E0K-PE4_decoys.pdbqt | data/4E/4E0K-PE4/4E0K-PE4_decoy_scores.csv |
4EWQ-MWL | data/4E/4EWQ-MWL/4EWQ-MWL_ligand.pdbqt | data/4E/4EWQ-MWL/4EWQ-MWL_target.pdbqt | data/4E/4EWQ-MWL/4EWQ-MWL_decoys.pdbqt | data/4E/4EWQ-MWL/4EWQ-MWL_decoy_scores.csv |
4EFL-GNP | data/4E/4EFL-GNP/4EFL-GNP_ligand.pdbqt | data/4E/4EFL-GNP/4EFL-GNP_target.pdbqt | data/4E/4EFL-GNP/4EFL-GNP_decoys.pdbqt | data/4E/4EFL-GNP/4EFL-GNP_decoy_scores.csv |
4EGI-B2J | data/4E/4EGI-B2J/4EGI-B2J_ligand.pdbqt | data/4E/4EGI-B2J/4EGI-B2J_target.pdbqt | data/4E/4EGI-B2J/4EGI-B2J_decoys.pdbqt | data/4E/4EGI-B2J/4EGI-B2J_decoy_scores.csv |
4EYG-VNL | data/4E/4EYG-VNL/4EYG-VNL_ligand.pdbqt | data/4E/4EYG-VNL/4EYG-VNL_target.pdbqt | data/4E/4EYG-VNL/4EYG-VNL_decoys.pdbqt | data/4E/4EYG-VNL/4EYG-VNL_decoy_scores.csv |
4E6N-AMP | data/4E/4E6N-AMP/4E6N-AMP_ligand.pdbqt | data/4E/4E6N-AMP/4E6N-AMP_target.pdbqt | data/4E/4E6N-AMP/4E6N-AMP_decoys.pdbqt | data/4E/4E6N-AMP/4E6N-AMP_decoy_scores.csv |
1DMT-RDF | data/1D/1DMT-RDF/1DMT-RDF_ligand.pdbqt | data/1D/1DMT-RDF/1DMT-RDF_target.pdbqt | data/1D/1DMT-RDF/1DMT-RDF_decoys.pdbqt | data/1D/1DMT-RDF/1DMT-RDF_decoy_scores.csv |
1DID-DIG | data/1D/1DID-DIG/1DID-DIG_ligand.pdbqt | data/1D/1DID-DIG/1DID-DIG_target.pdbqt | data/1D/1DID-DIG/1DID-DIG_decoys.pdbqt | data/1D/1DID-DIG/1DID-DIG_decoy_scores.csv |
1DAF-DSD | data/1D/1DAF-DSD/1DAF-DSD_ligand.pdbqt | data/1D/1DAF-DSD/1DAF-DSD_target.pdbqt | data/1D/1DAF-DSD/1DAF-DSD_decoys.pdbqt | data/1D/1DAF-DSD/1DAF-DSD_decoy_scores.csv |
1DQX-BMP | data/1D/1DQX-BMP/1DQX-BMP_ligand.pdbqt | data/1D/1DQX-BMP/1DQX-BMP_target.pdbqt | data/1D/1DQX-BMP/1DQX-BMP_decoys.pdbqt | data/1D/1DQX-BMP/1DQX-BMP_decoy_scores.csv |
1DGM-ADN | data/1D/1DGM-ADN/1DGM-ADN_ligand.pdbqt | data/1D/1DGM-ADN/1DGM-ADN_target.pdbqt | data/1D/1DGM-ADN/1DGM-ADN_decoys.pdbqt | data/1D/1DGM-ADN/1DGM-ADN_decoy_scores.csv |
1DIA-L24 | data/1D/1DIA-L24/1DIA-L24_ligand.pdbqt | data/1D/1DIA-L24/1DIA-L24_target.pdbqt | data/1D/1DIA-L24/1DIA-L24_decoys.pdbqt | data/1D/1DIA-L24/1DIA-L24_decoy_scores.csv |
1DJW-CIP | data/1D/1DJW-CIP/1DJW-CIP_ligand.pdbqt | data/1D/1DJW-CIP/1DJW-CIP_target.pdbqt | data/1D/1DJW-CIP/1DJW-CIP_decoys.pdbqt | data/1D/1DJW-CIP/1DJW-CIP_decoy_scores.csv |
1DRV-A3D | data/1D/1DRV-A3D/1DRV-A3D_ligand.pdbqt | data/1D/1DRV-A3D/1DRV-A3D_target.pdbqt | data/1D/1DRV-A3D/1DRV-A3D_decoys.pdbqt | data/1D/1DRV-A3D/1DRV-A3D_decoy_scores.csv |
1DHT-DHT | data/1D/1DHT-DHT/1DHT-DHT_ligand.pdbqt | data/1D/1DHT-DHT/1DHT-DHT_target.pdbqt | data/1D/1DHT-DHT/1DHT-DHT_decoys.pdbqt | data/1D/1DHT-DHT/1DHT-DHT_decoy_scores.csv |
1DG7-WRB | data/1D/1DG7-WRB/1DG7-WRB_ligand.pdbqt | data/1D/1DG7-WRB/1DG7-WRB_target.pdbqt | data/1D/1DG7-WRB/1DG7-WRB_decoys.pdbqt | data/1D/1DG7-WRB/1DG7-WRB_decoy_scores.csv |
1DRF-FOL | data/1D/1DRF-FOL/1DRF-FOL_ligand.pdbqt | data/1D/1DRF-FOL/1DRF-FOL_target.pdbqt | data/1D/1DRF-FOL/1DRF-FOL_decoys.pdbqt | data/1D/1DRF-FOL/1DRF-FOL_decoy_scores.csv |
1DMP-DMQ | data/1D/1DMP-DMQ/1DMP-DMQ_ligand.pdbqt | data/1D/1DMP-DMQ/1DMP-DMQ_target.pdbqt | data/1D/1DMP-DMQ/1DMP-DMQ_decoys.pdbqt | data/1D/1DMP-DMQ/1DMP-DMQ_decoy_scores.csv |
1DJQ-ADP | data/1D/1DJQ-ADP/1DJQ-ADP_ligand.pdbqt | data/1D/1DJQ-ADP/1DJQ-ADP_target.pdbqt | data/1D/1DJQ-ADP/1DJQ-ADP_decoys.pdbqt | data/1D/1DJQ-ADP/1DJQ-ADP_decoy_scores.csv |
1DUD-DUD | data/1D/1DUD-DUD/1DUD-DUD_ligand.pdbqt | data/1D/1DUD-DUD/1DUD-DUD_target.pdbqt | data/1D/1DUD-DUD/1DUD-DUD_decoys.pdbqt | data/1D/1DUD-DUD/1DUD-DUD_decoy_scores.csv |
1DZ9-CAM | data/1D/1DZ9-CAM/1DZ9-CAM_ligand.pdbqt | data/1D/1DZ9-CAM/1DZ9-CAM_target.pdbqt | data/1D/1DZ9-CAM/1DZ9-CAM_decoys.pdbqt | data/1D/1DZ9-CAM/1DZ9-CAM_decoy_scores.csv |
1DC4-G3P | data/1D/1DC4-G3P/1DC4-G3P_ligand.pdbqt | data/1D/1DC4-G3P/1DC4-G3P_target.pdbqt | data/1D/1DC4-G3P/1DC4-G3P_decoys.pdbqt | data/1D/1DC4-G3P/1DC4-G3P_decoy_scores.csv |
1DRW-NHD | data/1D/1DRW-NHD/1DRW-NHD_ligand.pdbqt | data/1D/1DRW-NHD/1DRW-NHD_target.pdbqt | data/1D/1DRW-NHD/1DRW-NHD_decoys.pdbqt | data/1D/1DRW-NHD/1DRW-NHD_decoy_scores.csv |
1DAG-DSD | data/1D/1DAG-DSD/1DAG-DSD_ligand.pdbqt | data/1D/1DAG-DSD/1DAG-DSD_target.pdbqt | data/1D/1DAG-DSD/1DAG-DSD_decoys.pdbqt | data/1D/1DAG-DSD/1DAG-DSD_decoy_scores.csv |
1DAJ-MOT | data/1D/1DAJ-MOT/1DAJ-MOT_ligand.pdbqt | data/1D/1DAJ-MOT/1DAJ-MOT_target.pdbqt | data/1D/1DAJ-MOT/1DAJ-MOT_decoys.pdbqt | data/1D/1DAJ-MOT/1DAJ-MOT_decoy_scores.csv |
1D3H-FMN | data/1D/1D3H-FMN/1D3H-FMN_ligand.pdbqt | data/1D/1D3H-FMN/1D3H-FMN_target.pdbqt | data/1D/1D3H-FMN/1D3H-FMN_decoys.pdbqt | data/1D/1D3H-FMN/1D3H-FMN_decoy_scores.csv |
1D03-FMN | data/1D/1D03-FMN/1D03-FMN_ligand.pdbqt | data/1D/1D03-FMN/1D03-FMN_target.pdbqt | data/1D/1D03-FMN/1D03-FMN_decoys.pdbqt | data/1D/1D03-FMN/1D03-FMN_decoy_scores.csv |
1D1Y-3BT | data/1D/1D1Y-3BT/1D1Y-3BT_ligand.pdbqt | data/1D/1D1Y-3BT/1D1Y-3BT_target.pdbqt | null | null |
1D2E-GDP | data/1D/1D2E-GDP/1D2E-GDP_ligand.pdbqt | data/1D/1D2E-GDP/1D2E-GDP_target.pdbqt | data/1D/1D2E-GDP/1D2E-GDP_decoys.pdbqt | data/1D/1D2E-GDP/1D2E-GDP_decoy_scores.csv |
1DV6-LDA | data/1D/1DV6-LDA/1DV6-LDA_ligand.pdbqt | data/1D/1DV6-LDA/1DV6-LDA_target.pdbqt | data/1D/1DV6-LDA/1DV6-LDA_decoys.pdbqt | data/1D/1DV6-LDA/1DV6-LDA_decoy_scores.csv |
1DOH-NID | data/1D/1DOH-NID/1DOH-NID_ligand.pdbqt | data/1D/1DOH-NID/1DOH-NID_target.pdbqt | data/1D/1DOH-NID/1DOH-NID_decoys.pdbqt | data/1D/1DOH-NID/1DOH-NID_decoy_scores.csv |
1DSS-NAD | data/1D/1DSS-NAD/1DSS-NAD_ligand.pdbqt | data/1D/1DSS-NAD/1DSS-NAD_target.pdbqt | data/1D/1DSS-NAD/1DSS-NAD_decoys.pdbqt | data/1D/1DSS-NAD/1DSS-NAD_decoy_scores.csv |
1DRA-MTX | data/1D/1DRA-MTX/1DRA-MTX_ligand.pdbqt | data/1D/1DRA-MTX/1DRA-MTX_target.pdbqt | data/1D/1DRA-MTX/1DRA-MTX_decoys.pdbqt | data/1D/1DRA-MTX/1DRA-MTX_decoy_scores.csv |
1D0V-RBZ | data/1D/1D0V-RBZ/1D0V-RBZ_ligand.pdbqt | data/1D/1D0V-RBZ/1D0V-RBZ_target.pdbqt | data/1D/1D0V-RBZ/1D0V-RBZ_decoys.pdbqt | data/1D/1D0V-RBZ/1D0V-RBZ_decoy_scores.csv |
1DE6-RNS | data/1D/1DE6-RNS/1DE6-RNS_ligand.pdbqt | data/1D/1DE6-RNS/1DE6-RNS_target.pdbqt | data/1D/1DE6-RNS/1DE6-RNS_decoys.pdbqt | data/1D/1DE6-RNS/1DE6-RNS_decoy_scores.csv |
1DRK-RIP | data/1D/1DRK-RIP/1DRK-RIP_ligand.pdbqt | data/1D/1DRK-RIP/1DRK-RIP_target.pdbqt | data/1D/1DRK-RIP/1DRK-RIP_decoys.pdbqt | data/1D/1DRK-RIP/1DRK-RIP_decoy_scores.csv |
1D3D-BZT | data/1D/1D3D-BZT/1D3D-BZT_ligand.pdbqt | data/1D/1D3D-BZT/1D3D-BZT_target.pdbqt | data/1D/1D3D-BZT/1D3D-BZT_decoys.pdbqt | data/1D/1D3D-BZT/1D3D-BZT_decoy_scores.csv |
1DHI-MTX | data/1D/1DHI-MTX/1DHI-MTX_ligand.pdbqt | data/1D/1DHI-MTX/1DHI-MTX_target.pdbqt | data/1D/1DHI-MTX/1DHI-MTX_decoys.pdbqt | data/1D/1DHI-MTX/1DHI-MTX_decoy_scores.csv |
1D9I-00P | data/1D/1D9I-00P/1D9I-00P_ligand.pdbqt | data/1D/1D9I-00P/1D9I-00P_target.pdbqt | data/1D/1D9I-00P/1D9I-00P_decoys.pdbqt | data/1D/1D9I-00P/1D9I-00P_decoy_scores.csv |
1DOJ-1Z0 | data/1D/1DOJ-1Z0/1DOJ-1Z0_ligand.pdbqt | data/1D/1DOJ-1Z0/1DOJ-1Z0_target.pdbqt | data/1D/1DOJ-1Z0/1DOJ-1Z0_decoys.pdbqt | data/1D/1DOJ-1Z0/1DOJ-1Z0_decoy_scores.csv |
1DLQ-LIO | data/1D/1DLQ-LIO/1DLQ-LIO_ligand.pdbqt | data/1D/1DLQ-LIO/1DLQ-LIO_target.pdbqt | data/1D/1DLQ-LIO/1DLQ-LIO_decoys.pdbqt | data/1D/1DLQ-LIO/1DLQ-LIO_decoy_scores.csv |
1DVS-STL | data/1D/1DVS-STL/1DVS-STL_ligand.pdbqt | data/1D/1DVS-STL/1DVS-STL_target.pdbqt | data/1D/1DVS-STL/1DVS-STL_decoys.pdbqt | data/1D/1DVS-STL/1DVS-STL_decoy_scores.csv |
1DJO-CAB | data/1D/1DJO-CAB/1DJO-CAB_ligand.pdbqt | data/1D/1DJO-CAB/1DJO-CAB_target.pdbqt | data/1D/1DJO-CAB/1DJO-CAB_decoys.pdbqt | data/1D/1DJO-CAB/1DJO-CAB_decoy_scores.csv |
1DIM-EQP | data/1D/1DIM-EQP/1DIM-EQP_ligand.pdbqt | data/1D/1DIM-EQP/1DIM-EQP_target.pdbqt | data/1D/1DIM-EQP/1DIM-EQP_decoys.pdbqt | data/1D/1DIM-EQP/1DIM-EQP_decoy_scores.csv |
1DC6-NAD | data/1D/1DC6-NAD/1DC6-NAD_ligand.pdbqt | data/1D/1DC6-NAD/1DC6-NAD_target.pdbqt | data/1D/1DC6-NAD/1DC6-NAD_decoys.pdbqt | data/1D/1DC6-NAD/1DC6-NAD_decoy_scores.csv |
1DOE-DOB | data/1D/1DOE-DOB/1DOE-DOB_ligand.pdbqt | data/1D/1DOE-DOB/1DOE-DOB_target.pdbqt | data/1D/1DOE-DOB/1DOE-DOB_decoys.pdbqt | data/1D/1DOE-DOB/1DOE-DOB_decoy_scores.csv |
1DOC-PHB | data/1D/1DOC-PHB/1DOC-PHB_ligand.pdbqt | data/1D/1DOC-PHB/1DOC-PHB_target.pdbqt | data/1D/1DOC-PHB/1DOC-PHB_decoys.pdbqt | data/1D/1DOC-PHB/1DOC-PHB_decoy_scores.csv |
1D1X-H4B | data/1D/1D1X-H4B/1D1X-H4B_ligand.pdbqt | data/1D/1D1X-H4B/1D1X-H4B_target.pdbqt | null | null |
1D4X-ATP | data/1D/1D4X-ATP/1D4X-ATP_ligand.pdbqt | data/1D/1D4X-ATP/1D4X-ATP_target.pdbqt | data/1D/1D4X-ATP/1D4X-ATP_decoys.pdbqt | data/1D/1D4X-ATP/1D4X-ATP_decoy_scores.csv |
1DR6-HBI | data/1D/1DR6-HBI/1DR6-HBI_ligand.pdbqt | data/1D/1DR6-HBI/1DR6-HBI_target.pdbqt | data/1D/1DR6-HBI/1DR6-HBI_decoys.pdbqt | data/1D/1DR6-HBI/1DR6-HBI_decoy_scores.csv |
1DWW-HAR | data/1D/1DWW-HAR/1DWW-HAR_ligand.pdbqt | data/1D/1DWW-HAR/1DWW-HAR_target.pdbqt | data/1D/1DWW-HAR/1DWW-HAR_decoys.pdbqt | data/1D/1DWW-HAR/1DWW-HAR_decoy_scores.csv |
1DZ8-CAM | data/1D/1DZ8-CAM/1DZ8-CAM_ligand.pdbqt | data/1D/1DZ8-CAM/1DZ8-CAM_target.pdbqt | data/1D/1DZ8-CAM/1DZ8-CAM_decoys.pdbqt | data/1D/1DZ8-CAM/1DZ8-CAM_decoy_scores.csv |
1DAW-ANP | data/1D/1DAW-ANP/1DAW-ANP_ligand.pdbqt | data/1D/1DAW-ANP/1DAW-ANP_target.pdbqt | data/1D/1DAW-ANP/1DAW-ANP_decoys.pdbqt | data/1D/1DAW-ANP/1DAW-ANP_decoy_scores.csv |
1D1T-NAD | data/1D/1D1T-NAD/1D1T-NAD_ligand.pdbqt | data/1D/1D1T-NAD/1D1T-NAD_target.pdbqt | data/1D/1D1T-NAD/1D1T-NAD_decoys.pdbqt | data/1D/1D1T-NAD/1D1T-NAD_decoy_scores.csv |
1D1V-H4B | data/1D/1D1V-H4B/1D1V-H4B_ligand.pdbqt | data/1D/1D1V-H4B/1D1V-H4B_target.pdbqt | null | null |
1DL5-SAH | data/1D/1DL5-SAH/1DL5-SAH_ligand.pdbqt | data/1D/1DL5-SAH/1DL5-SAH_target.pdbqt | data/1D/1DL5-SAH/1DL5-SAH_decoys.pdbqt | data/1D/1DL5-SAH/1DL5-SAH_decoy_scores.csv |
1D8A-TCL | data/1D/1D8A-TCL/1D8A-TCL_ligand.pdbqt | data/1D/1D8A-TCL/1D8A-TCL_target.pdbqt | data/1D/1D8A-TCL/1D8A-TCL_decoys.pdbqt | data/1D/1D8A-TCL/1D8A-TCL_decoy_scores.csv |
1DG5-TOP | data/1D/1DG5-TOP/1DG5-TOP_ligand.pdbqt | data/1D/1DG5-TOP/1DG5-TOP_target.pdbqt | data/1D/1DG5-TOP/1DG5-TOP_decoys.pdbqt | data/1D/1DG5-TOP/1DG5-TOP_decoy_scores.csv |
1D1X-4BT | data/1D/1D1X-4BT/1D1X-4BT_ligand.pdbqt | data/1D/1D1X-4BT/1D1X-4BT_target.pdbqt | null | null |
1DS6-GDP | data/1D/1DS6-GDP/1DS6-GDP_ligand.pdbqt | data/1D/1DS6-GDP/1DS6-GDP_target.pdbqt | data/1D/1DS6-GDP/1DS6-GDP_decoys.pdbqt | data/1D/1DS6-GDP/1DS6-GDP_decoy_scores.csv |
1DFI-NAD | data/1D/1DFI-NAD/1DFI-NAD_ligand.pdbqt | data/1D/1DFI-NAD/1DFI-NAD_target.pdbqt | data/1D/1DFI-NAD/1DFI-NAD_decoys.pdbqt | data/1D/1DFI-NAD/1DFI-NAD_decoy_scores.csv |
1D4H-BEH | data/1D/1D4H-BEH/1D4H-BEH_ligand.pdbqt | data/1D/1D4H-BEH/1D4H-BEH_target.pdbqt | data/1D/1D4H-BEH/1D4H-BEH_decoys.pdbqt | data/1D/1D4H-BEH/1D4H-BEH_decoy_scores.csv |
1D7S-DCS | data/1D/1D7S-DCS/1D7S-DCS_ligand.pdbqt | data/1D/1D7S-DCS/1D7S-DCS_target.pdbqt | data/1D/1D7S-DCS/1D7S-DCS_decoys.pdbqt | data/1D/1D7S-DCS/1D7S-DCS_decoy_scores.csv |
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