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 ⌀ |
|---|---|---|---|---|
3NDT-ROC | data/3N/3NDT-ROC/3NDT-ROC_ligand.pdbqt | data/3N/3NDT-ROC/3NDT-ROC_target.pdbqt | data/3N/3NDT-ROC/3NDT-ROC_decoys.pdbqt | data/3N/3NDT-ROC/3NDT-ROC_decoy_scores.csv |
3NTU-ANP | data/3N/3NTU-ANP/3NTU-ANP_ligand.pdbqt | data/3N/3NTU-ANP/3NTU-ANP_target.pdbqt | data/3N/3NTU-ANP/3NTU-ANP_decoys.pdbqt | data/3N/3NTU-ANP/3NTU-ANP_decoy_scores.csv |
3N39-FMN | data/3N/3N39-FMN/3N39-FMN_ligand.pdbqt | data/3N/3N39-FMN/3N39-FMN_target.pdbqt | data/3N/3N39-FMN/3N39-FMN_decoys.pdbqt | data/3N/3N39-FMN/3N39-FMN_decoy_scores.csv |
3NV6-CAM | data/3N/3NV6-CAM/3NV6-CAM_ligand.pdbqt | data/3N/3NV6-CAM/3NV6-CAM_target.pdbqt | data/3N/3NV6-CAM/3NV6-CAM_decoys.pdbqt | data/3N/3NV6-CAM/3NV6-CAM_decoy_scores.csv |
3N45-ZOL | data/3N/3N45-ZOL/3N45-ZOL_ligand.pdbqt | data/3N/3N45-ZOL/3N45-ZOL_target.pdbqt | data/3N/3N45-ZOL/3N45-ZOL_decoys.pdbqt | data/3N/3N45-ZOL/3N45-ZOL_decoy_scores.csv |
3NLY-H4B | data/3N/3NLY-H4B/3NLY-H4B_ligand.pdbqt | data/3N/3NLY-H4B/3NLY-H4B_target.pdbqt | data/3N/3NLY-H4B/3NLY-H4B_decoys.pdbqt | data/3N/3NLY-H4B/3NLY-H4B_decoy_scores.csv |
3N71-SFG | data/3N/3N71-SFG/3N71-SFG_ligand.pdbqt | data/3N/3N71-SFG/3N71-SFG_target.pdbqt | data/3N/3N71-SFG/3N71-SFG_decoys.pdbqt | data/3N/3N71-SFG/3N71-SFG_decoy_scores.csv |
3NJ4-NAD | data/3N/3NJ4-NAD/3NJ4-NAD_ligand.pdbqt | data/3N/3NJ4-NAD/3NJ4-NAD_target.pdbqt | data/3N/3NJ4-NAD/3NJ4-NAD_decoys.pdbqt | data/3N/3NJ4-NAD/3NJ4-NAD_decoy_scores.csv |
3NUV-ASD | data/3N/3NUV-ASD/3NUV-ASD_ligand.pdbqt | data/3N/3NUV-ASD/3NUV-ASD_target.pdbqt | data/3N/3NUV-ASD/3NUV-ASD_decoys.pdbqt | data/3N/3NUV-ASD/3NUV-ASD_decoy_scores.csv |
3N3J-WWV | data/3N/3N3J-WWV/3N3J-WWV_ligand.pdbqt | data/3N/3N3J-WWV/3N3J-WWV_target.pdbqt | data/3N/3N3J-WWV/3N3J-WWV_decoys.pdbqt | data/3N/3N3J-WWV/3N3J-WWV_decoy_scores.csv |
3N0T-OPY | data/3N/3N0T-OPY/3N0T-OPY_ligand.pdbqt | data/3N/3N0T-OPY/3N0T-OPY_target.pdbqt | data/3N/3N0T-OPY/3N0T-OPY_decoys.pdbqt | data/3N/3N0T-OPY/3N0T-OPY_decoy_scores.csv |
3NSB-RET | data/3N/3NSB-RET/3NSB-RET_ligand.pdbqt | data/3N/3NSB-RET/3NSB-RET_target.pdbqt | data/3N/3NSB-RET/3NSB-RET_decoys.pdbqt | data/3N/3NSB-RET/3NSB-RET_decoy_scores.csv |
3NVZ-I3A | data/3N/3NVZ-I3A/3NVZ-I3A_ligand.pdbqt | data/3N/3NVZ-I3A/3NVZ-I3A_target.pdbqt | null | null |
3NEM-AMO | data/3N/3NEM-AMO/3NEM-AMO_ligand.pdbqt | data/3N/3NEM-AMO/3NEM-AMO_target.pdbqt | data/3N/3NEM-AMO/3NEM-AMO_decoys.pdbqt | data/3N/3NEM-AMO/3NEM-AMO_decoy_scores.csv |
3N2A-ADP | data/3N/3N2A-ADP/3N2A-ADP_ligand.pdbqt | data/3N/3N2A-ADP/3N2A-ADP_target.pdbqt | data/3N/3N2A-ADP/3N2A-ADP_decoys.pdbqt | data/3N/3N2A-ADP/3N2A-ADP_decoy_scores.csv |
3NGQ-1PS | data/3N/3NGQ-1PS/3NGQ-1PS_ligand.pdbqt | data/3N/3NGQ-1PS/3NGQ-1PS_target.pdbqt | data/3N/3NGQ-1PS/3NGQ-1PS_decoys.pdbqt | data/3N/3NGQ-1PS/3NGQ-1PS_decoy_scores.csv |
3NUC-THP | data/3N/3NUC-THP/3NUC-THP_ligand.pdbqt | data/3N/3NUC-THP/3NUC-THP_target.pdbqt | data/3N/3NUC-THP/3NUC-THP_decoys.pdbqt | data/3N/3NUC-THP/3NUC-THP_decoy_scores.csv |
3NK0-HNM | data/3N/3NK0-HNM/3NK0-HNM_ligand.pdbqt | data/3N/3NK0-HNM/3NK0-HNM_target.pdbqt | data/3N/3NK0-HNM/3NK0-HNM_decoys.pdbqt | data/3N/3NK0-HNM/3NK0-HNM_decoy_scores.csv |
3NJ1-PYV | data/3N/3NJ1-PYV/3NJ1-PYV_ligand.pdbqt | data/3N/3NJ1-PYV/3NJ1-PYV_target.pdbqt | data/3N/3NJ1-PYV/3NJ1-PYV_decoys.pdbqt | data/3N/3NJ1-PYV/3NJ1-PYV_decoy_scores.csv |
3NM0-H4B | data/3N/3NM0-H4B/3NM0-H4B_ligand.pdbqt | data/3N/3NM0-H4B/3NM0-H4B_target.pdbqt | data/3N/3NM0-H4B/3NM0-H4B_decoys.pdbqt | data/3N/3NM0-H4B/3NM0-H4B_decoy_scores.csv |
3NT2-NAD | data/3N/3NT2-NAD/3NT2-NAD_ligand.pdbqt | data/3N/3NT2-NAD/3NT2-NAD_target.pdbqt | data/3N/3NT2-NAD/3NT2-NAD_decoys.pdbqt | data/3N/3NT2-NAD/3NT2-NAD_decoy_scores.csv |
3NVS-GPJ | data/3N/3NVS-GPJ/3NVS-GPJ_ligand.pdbqt | data/3N/3NVS-GPJ/3NVS-GPJ_target.pdbqt | data/3N/3NVS-GPJ/3NVS-GPJ_decoys.pdbqt | data/3N/3NVS-GPJ/3NVS-GPJ_decoy_scores.csv |
3N62-XFJ | data/3N/3N62-XFJ/3N62-XFJ_ligand.pdbqt | data/3N/3N62-XFJ/3N62-XFJ_target.pdbqt | data/3N/3N62-XFJ/3N62-XFJ_decoys.pdbqt | data/3N/3N62-XFJ/3N62-XFJ_decoy_scores.csv |
3NJ4-AFX | data/3N/3NJ4-AFX/3NJ4-AFX_ligand.pdbqt | data/3N/3NJ4-AFX/3NJ4-AFX_target.pdbqt | data/3N/3NJ4-AFX/3NJ4-AFX_decoys.pdbqt | data/3N/3NJ4-AFX/3NJ4-AFX_decoy_scores.csv |
3N4C-EF3 | data/3N/3N4C-EF3/3N4C-EF3_ligand.pdbqt | data/3N/3N4C-EF3/3N4C-EF3_target.pdbqt | data/3N/3N4C-EF3/3N4C-EF3_decoys.pdbqt | data/3N/3N4C-EF3/3N4C-EF3_decoy_scores.csv |
3N5Y-XFL | data/3N/3N5Y-XFL/3N5Y-XFL_ligand.pdbqt | data/3N/3N5Y-XFL/3N5Y-XFL_target.pdbqt | data/3N/3N5Y-XFL/3N5Y-XFL_decoys.pdbqt | data/3N/3N5Y-XFL/3N5Y-XFL_decoy_scores.csv |
3NQT-THP | data/3N/3NQT-THP/3NQT-THP_ligand.pdbqt | data/3N/3NQT-THP/3NQT-THP_target.pdbqt | data/3N/3NQT-THP/3NQT-THP_decoys.pdbqt | data/3N/3NQT-THP/3NQT-THP_decoy_scores.csv |
3NK4-FLC | data/3N/3NK4-FLC/3NK4-FLC_ligand.pdbqt | data/3N/3NK4-FLC/3NK4-FLC_target.pdbqt | data/3N/3NK4-FLC/3NK4-FLC_decoys.pdbqt | data/3N/3NK4-FLC/3NK4-FLC_decoy_scores.csv |
3N5W-XFJ | data/3N/3N5W-XFJ/3N5W-XFJ_ligand.pdbqt | data/3N/3N5W-XFJ/3N5W-XFJ_target.pdbqt | data/3N/3N5W-XFJ/3N5W-XFJ_decoys.pdbqt | data/3N/3N5W-XFJ/3N5W-XFJ_decoy_scores.csv |
3NW7-LGV | data/3N/3NW7-LGV/3NW7-LGV_ligand.pdbqt | data/3N/3NW7-LGV/3NW7-LGV_target.pdbqt | data/3N/3NW7-LGV/3NW7-LGV_decoys.pdbqt | data/3N/3NW7-LGV/3NW7-LGV_decoy_scores.csv |
3N2R-H4B | data/3N/3N2R-H4B/3N2R-H4B_ligand.pdbqt | data/3N/3N2R-H4B/3N2R-H4B_target.pdbqt | data/3N/3N2R-H4B/3N2R-H4B_decoys.pdbqt | data/3N/3N2R-H4B/3N2R-H4B_decoy_scores.csv |
3N7U-NAD | data/3N/3N7U-NAD/3N7U-NAD_ligand.pdbqt | data/3N/3N7U-NAD/3N7U-NAD_target.pdbqt | data/3N/3N7U-NAD/3N7U-NAD_decoys.pdbqt | data/3N/3N7U-NAD/3N7U-NAD_decoy_scores.csv |
3NF8-CDQ | data/3N/3NF8-CDQ/3NF8-CDQ_ligand.pdbqt | data/3N/3NF8-CDQ/3NF8-CDQ_target.pdbqt | data/3N/3NF8-CDQ/3NF8-CDQ_decoys.pdbqt | data/3N/3NF8-CDQ/3NF8-CDQ_decoy_scores.csv |
3NK0-HNK | data/3N/3NK0-HNK/3NK0-HNK_ligand.pdbqt | data/3N/3NK0-HNK/3NK0-HNK_target.pdbqt | data/3N/3NK0-HNK/3NK0-HNK_decoys.pdbqt | data/3N/3NK0-HNK/3NK0-HNK_decoy_scores.csv |
3N66-XFN | data/3N/3N66-XFN/3N66-XFN_ligand.pdbqt | data/3N/3N66-XFN/3N66-XFN_target.pdbqt | data/3N/3N66-XFN/3N66-XFN_decoys.pdbqt | data/3N/3N66-XFN/3N66-XFN_decoy_scores.csv |
3N8I-NLA | data/3N/3N8I-NLA/3N8I-NLA_ligand.pdbqt | data/3N/3N8I-NLA/3N8I-NLA_target.pdbqt | data/3N/3N8I-NLA/3N8I-NLA_decoys.pdbqt | data/3N/3N8I-NLA/3N8I-NLA_decoy_scores.csv |
3NDI-TMP | data/3N/3NDI-TMP/3NDI-TMP_ligand.pdbqt | data/3N/3NDI-TMP/3NDI-TMP_target.pdbqt | data/3N/3NDI-TMP/3NDI-TMP_decoys.pdbqt | data/3N/3NDI-TMP/3NDI-TMP_decoy_scores.csv |
3NCL-CCZ | data/3N/3NCL-CCZ/3NCL-CCZ_ligand.pdbqt | data/3N/3NCL-CCZ/3NCL-CCZ_target.pdbqt | data/3N/3NCL-CCZ/3NCL-CCZ_decoys.pdbqt | data/3N/3NCL-CCZ/3NCL-CCZ_decoy_scores.csv |
3NU6-478 | data/3N/3NU6-478/3NU6-478_ligand.pdbqt | data/3N/3NU6-478/3NU6-478_target.pdbqt | data/3N/3NU6-478/3NU6-478_decoys.pdbqt | data/3N/3NU6-478/3NU6-478_decoy_scores.csv |
3N7W-AXL | data/3N/3N7W-AXL/3N7W-AXL_ligand.pdbqt | data/3N/3N7W-AXL/3N7W-AXL_target.pdbqt | data/3N/3N7W-AXL/3N7W-AXL_decoys.pdbqt | data/3N/3N7W-AXL/3N7W-AXL_decoy_scores.csv |
3NLJ-JRR | data/3N/3NLJ-JRR/3NLJ-JRR_ligand.pdbqt | data/3N/3NLJ-JRR/3NLJ-JRR_target.pdbqt | data/3N/3NLJ-JRR/3NLJ-JRR_decoys.pdbqt | data/3N/3NLJ-JRR/3NLJ-JRR_decoy_scores.csv |
3NH3-GP7 | data/3N/3NH3-GP7/3NH3-GP7_ligand.pdbqt | data/3N/3NH3-GP7/3NH3-GP7_target.pdbqt | data/3N/3NH3-GP7/3NH3-GP7_decoys.pdbqt | data/3N/3NH3-GP7/3NH3-GP7_decoy_scores.csv |
3NLV-H4B | data/3N/3NLV-H4B/3NLV-H4B_ligand.pdbqt | data/3N/3NLV-H4B/3NLV-H4B_target.pdbqt | data/3N/3NLV-H4B/3NLV-H4B_decoys.pdbqt | data/3N/3NLV-H4B/3NLV-H4B_decoy_scores.csv |
3NB8-BLA | data/3N/3NB8-BLA/3NB8-BLA_ligand.pdbqt | data/3N/3NB8-BLA/3NB8-BLA_target.pdbqt | data/3N/3NB8-BLA/3NB8-BLA_decoys.pdbqt | data/3N/3NB8-BLA/3NB8-BLA_decoy_scores.csv |
3NS0-RET | data/3N/3NS0-RET/3NS0-RET_ligand.pdbqt | data/3N/3NS0-RET/3NS0-RET_target.pdbqt | data/3N/3NS0-RET/3NS0-RET_decoys.pdbqt | data/3N/3NS0-RET/3NS0-RET_decoy_scores.csv |
3N9J-EAA | data/3N/3N9J-EAA/3N9J-EAA_ligand.pdbqt | data/3N/3N9J-EAA/3N9J-EAA_target.pdbqt | null | null |
3N60-XFN | data/3N/3N60-XFN/3N60-XFN_ligand.pdbqt | data/3N/3N60-XFN/3N60-XFN_target.pdbqt | data/3N/3N60-XFN/3N60-XFN_decoys.pdbqt | data/3N/3N60-XFN/3N60-XFN_decoy_scores.csv |
3NWW-3NW | data/3N/3NWW-3NW/3NWW-3NW_ligand.pdbqt | data/3N/3NWW-3NW/3NWW-3NW_target.pdbqt | data/3N/3NWW-3NW/3NWW-3NW_decoys.pdbqt | data/3N/3NWW-3NW/3NWW-3NW_decoy_scores.csv |
3NYR-AMP | data/3N/3NYR-AMP/3NYR-AMP_ligand.pdbqt | data/3N/3NYR-AMP/3NYR-AMP_target.pdbqt | data/3N/3NYR-AMP/3NYR-AMP_decoys.pdbqt | data/3N/3NYR-AMP/3NYR-AMP_decoy_scores.csv |
3NZA-D2K | data/3N/3NZA-D2K/3NZA-D2K_ligand.pdbqt | data/3N/3NZA-D2K/3NZA-D2K_target.pdbqt | data/3N/3NZA-D2K/3NZA-D2K_decoys.pdbqt | data/3N/3NZA-D2K/3NZA-D2K_decoy_scores.csv |
3NF9-CD9 | data/3N/3NF9-CD9/3NF9-CD9_ligand.pdbqt | data/3N/3NF9-CD9/3NF9-CD9_target.pdbqt | data/3N/3NF9-CD9/3NF9-CD9_decoys.pdbqt | data/3N/3NF9-CD9/3NF9-CD9_decoy_scores.csv |
3N2I-THM | data/3N/3N2I-THM/3N2I-THM_ligand.pdbqt | data/3N/3N2I-THM/3N2I-THM_target.pdbqt | data/3N/3N2I-THM/3N2I-THM_decoys.pdbqt | data/3N/3N2I-THM/3N2I-THM_decoy_scores.csv |
3N5X-XFK | data/3N/3N5X-XFK/3N5X-XFK_ligand.pdbqt | data/3N/3N5X-XFK/3N5X-XFK_target.pdbqt | data/3N/3N5X-XFK/3N5X-XFK_decoys.pdbqt | data/3N/3N5X-XFK/3N5X-XFK_decoy_scores.csv |
3NXV-D2F | data/3N/3NXV-D2F/3NXV-D2F_ligand.pdbqt | data/3N/3NXV-D2F/3NXV-D2F_target.pdbqt | data/3N/3NXV-D2F/3NXV-D2F_decoys.pdbqt | data/3N/3NXV-D2F/3NXV-D2F_decoy_scores.csv |
3N1V-3N1 | data/3N/3N1V-3N1/3N1V-3N1_ligand.pdbqt | data/3N/3N1V-3N1/3N1V-3N1_target.pdbqt | data/3N/3N1V-3N1/3N1V-3N1_decoys.pdbqt | data/3N/3N1V-3N1/3N1V-3N1_decoy_scores.csv |
3NG7-GP7 | data/3N/3NG7-GP7/3NG7-GP7_ligand.pdbqt | data/3N/3NG7-GP7/3NG7-GP7_target.pdbqt | data/3N/3NG7-GP7/3NG7-GP7_decoys.pdbqt | data/3N/3NG7-GP7/3NG7-GP7_decoy_scores.csv |
3NKS-ACJ | data/3N/3NKS-ACJ/3NKS-ACJ_ligand.pdbqt | data/3N/3NKS-ACJ/3NKS-ACJ_target.pdbqt | data/3N/3NKS-ACJ/3NKS-ACJ_decoys.pdbqt | data/3N/3NKS-ACJ/3NKS-ACJ_decoy_scores.csv |
3NZ6-D2J | data/3N/3NZ6-D2J/3NZ6-D2J_ligand.pdbqt | data/3N/3NZ6-D2J/3NZ6-D2J_target.pdbqt | data/3N/3NZ6-D2J/3NZ6-D2J_decoys.pdbqt | data/3N/3NZ6-D2J/3NZ6-D2J_decoy_scores.csv |
3N1T-5GP | data/3N/3N1T-5GP/3N1T-5GP_ligand.pdbqt | data/3N/3N1T-5GP/3N1T-5GP_target.pdbqt | data/3N/3N1T-5GP/3N1T-5GP_decoys.pdbqt | data/3N/3N1T-5GP/3N1T-5GP_decoy_scores.csv |
3NMP-PYV | data/3N/3NMP-PYV/3NMP-PYV_ligand.pdbqt | data/3N/3NMP-PYV/3NMP-PYV_target.pdbqt | data/3N/3NMP-PYV/3NMP-PYV_decoys.pdbqt | data/3N/3NMP-PYV/3NMP-PYV_decoy_scores.csv |
3NEE-B72 | data/3N/3NEE-B72/3NEE-B72_ligand.pdbqt | data/3N/3NEE-B72/3NEE-B72_target.pdbqt | data/3N/3NEE-B72/3NEE-B72_decoys.pdbqt | data/3N/3NEE-B72/3NEE-B72_decoy_scores.csv |
3NKK-JLZ | data/3N/3NKK-JLZ/3NKK-JLZ_ligand.pdbqt | data/3N/3NKK-JLZ/3NKK-JLZ_target.pdbqt | data/3N/3NKK-JLZ/3NKK-JLZ_decoys.pdbqt | data/3N/3NKK-JLZ/3NKK-JLZ_decoy_scores.csv |
3NIA-TBE | data/3N/3NIA-TBE/3NIA-TBE_ligand.pdbqt | data/3N/3NIA-TBE/3NIA-TBE_target.pdbqt | data/3N/3NIA-TBE/3NIA-TBE_decoys.pdbqt | data/3N/3NIA-TBE/3NIA-TBE_decoy_scores.csv |
3NLR-H4B | data/3N/3NLR-H4B/3NLR-H4B_ligand.pdbqt | data/3N/3NLR-H4B/3NLR-H4B_target.pdbqt | data/3N/3NLR-H4B/3NLR-H4B_decoys.pdbqt | data/3N/3NLR-H4B/3NLR-H4B_decoy_scores.csv |
3NFZ-3NF | data/3N/3NFZ-3NF/3NFZ-3NF_ligand.pdbqt | data/3N/3NFZ-3NF/3NFZ-3NF_target.pdbqt | data/3N/3NFZ-3NF/3NFZ-3NF_decoys.pdbqt | data/3N/3NFZ-3NF/3NFZ-3NF_decoy_scores.csv |
3NLL-FMN | data/3N/3NLL-FMN/3NLL-FMN_ligand.pdbqt | data/3N/3NLL-FMN/3NLL-FMN_target.pdbqt | data/3N/3NLL-FMN/3NLL-FMN_decoys.pdbqt | data/3N/3NLL-FMN/3NLL-FMN_decoy_scores.csv |
3N49-3N4 | data/3N/3N49-3N4/3N49-3N4_ligand.pdbqt | data/3N/3N49-3N4/3N49-3N4_target.pdbqt | data/3N/3N49-3N4/3N49-3N4_decoys.pdbqt | data/3N/3N49-3N4/3N49-3N4_decoy_scores.csv |
3N46-3N5 | data/3N/3N46-3N5/3N46-3N5_ligand.pdbqt | data/3N/3N46-3N5/3N46-3N5_target.pdbqt | data/3N/3N46-3N5/3N46-3N5_decoys.pdbqt | data/3N/3N46-3N5/3N46-3N5_decoy_scores.csv |
3N51-BK3 | data/3N/3N51-BK3/3N51-BK3_ligand.pdbqt | data/3N/3N51-BK3/3N51-BK3_target.pdbqt | data/3N/3N51-BK3/3N51-BK3_decoys.pdbqt | data/3N/3N51-BK3/3N51-BK3_decoy_scores.csv |
3NQ1-KOJ | data/3N/3NQ1-KOJ/3NQ1-KOJ_ligand.pdbqt | data/3N/3NQ1-KOJ/3NQ1-KOJ_target.pdbqt | data/3N/3NQ1-KOJ/3NQ1-KOJ_decoys.pdbqt | data/3N/3NQ1-KOJ/3NQ1-KOJ_decoy_scores.csv |
3NK4-A2G | data/3N/3NK4-A2G/3NK4-A2G_ligand.pdbqt | data/3N/3NK4-A2G/3NK4-A2G_target.pdbqt | data/3N/3NK4-A2G/3NK4-A2G_decoys.pdbqt | data/3N/3NK4-A2G/3NK4-A2G_decoy_scores.csv |
3NQ8-BEN | data/3N/3NQ8-BEN/3NQ8-BEN_ligand.pdbqt | data/3N/3NQ8-BEN/3NQ8-BEN_target.pdbqt | data/3N/3NQ8-BEN/3NQ8-BEN_decoys.pdbqt | data/3N/3NQ8-BEN/3NQ8-BEN_decoy_scores.csv |
3N63-XFN | data/3N/3N63-XFN/3N63-XFN_ligand.pdbqt | data/3N/3N63-XFN/3N63-XFN_target.pdbqt | data/3N/3N63-XFN/3N63-XFN_decoys.pdbqt | data/3N/3N63-XFN/3N63-XFN_decoy_scores.csv |
3NNT-DQA | data/3N/3NNT-DQA/3NNT-DQA_ligand.pdbqt | data/3N/3NNT-DQA/3NNT-DQA_target.pdbqt | data/3N/3NNT-DQA/3NNT-DQA_decoys.pdbqt | data/3N/3NNT-DQA/3NNT-DQA_decoy_scores.csv |
3NW3-NDG | data/3N/3NW3-NDG/3NW3-NDG_ligand.pdbqt | data/3N/3NW3-NDG/3NW3-NDG_target.pdbqt | data/3N/3NW3-NDG/3NW3-NDG_decoys.pdbqt | data/3N/3NW3-NDG/3NW3-NDG_decoy_scores.csv |
3N0Z-3AT | data/3N/3N0Z-3AT/3N0Z-3AT_ligand.pdbqt | data/3N/3N0Z-3AT/3N0Z-3AT_target.pdbqt | data/3N/3N0Z-3AT/3N0Z-3AT_decoys.pdbqt | data/3N/3N0Z-3AT/3N0Z-3AT_decoy_scores.csv |
3N0N-P9B | data/3N/3N0N-P9B/3N0N-P9B_ligand.pdbqt | data/3N/3N0N-P9B/3N0N-P9B_target.pdbqt | data/3N/3N0N-P9B/3N0N-P9B_decoys.pdbqt | data/3N/3N0N-P9B/3N0N-P9B_decoy_scores.csv |
3NDY-BTB | data/3N/3NDY-BTB/3NDY-BTB_ligand.pdbqt | data/3N/3NDY-BTB/3NDY-BTB_target.pdbqt | data/3N/3NDY-BTB/3NDY-BTB_decoys.pdbqt | data/3N/3NDY-BTB/3NDY-BTB_decoy_scores.csv |
3NDC-SAH | data/3N/3NDC-SAH/3NDC-SAH_ligand.pdbqt | data/3N/3NDC-SAH/3NDC-SAH_target.pdbqt | data/3N/3NDC-SAH/3NDC-SAH_decoys.pdbqt | data/3N/3NDC-SAH/3NDC-SAH_decoy_scores.csv |
3NUT-SAH | data/3N/3NUT-SAH/3NUT-SAH_ligand.pdbqt | data/3N/3NUT-SAH/3NUT-SAH_target.pdbqt | data/3N/3NUT-SAH/3NUT-SAH_decoys.pdbqt | data/3N/3NUT-SAH/3NUT-SAH_decoy_scores.csv |
3NZB-D2N | data/3N/3NZB-D2N/3NZB-D2N_ligand.pdbqt | data/3N/3NZB-D2N/3NZB-D2N_target.pdbqt | data/3N/3NZB-D2N/3NZB-D2N_decoys.pdbqt | data/3N/3NZB-D2N/3NZB-D2N_decoy_scores.csv |
3NC8-DH4 | data/3N/3NC8-DH4/3NC8-DH4_ligand.pdbqt | data/3N/3NC8-DH4/3NC8-DH4_target.pdbqt | data/3N/3NC8-DH4/3NC8-DH4_decoys.pdbqt | data/3N/3NC8-DH4/3NC8-DH4_decoy_scores.csv |
3N9Y-CLR | data/3N/3N9Y-CLR/3N9Y-CLR_ligand.pdbqt | data/3N/3N9Y-CLR/3N9Y-CLR_target.pdbqt | data/3N/3N9Y-CLR/3N9Y-CLR_decoys.pdbqt | data/3N/3N9Y-CLR/3N9Y-CLR_decoy_scores.csv |
3NLM-JRR | data/3N/3NLM-JRR/3NLM-JRR_ligand.pdbqt | data/3N/3NLM-JRR/3NLM-JRR_target.pdbqt | data/3N/3NLM-JRR/3NLM-JRR_decoys.pdbqt | data/3N/3NLM-JRR/3NLM-JRR_decoy_scores.csv |
3N2P-AYX | data/3N/3N2P-AYX/3N2P-AYX_ligand.pdbqt | data/3N/3N2P-AYX/3N2P-AYX_target.pdbqt | data/3N/3N2P-AYX/3N2P-AYX_decoys.pdbqt | data/3N/3N2P-AYX/3N2P-AYX_decoy_scores.csv |
3NW9-NHE | data/3N/3NW9-NHE/3NW9-NHE_ligand.pdbqt | data/3N/3NW9-NHE/3NW9-NHE_target.pdbqt | data/3N/3NW9-NHE/3NW9-NHE_decoys.pdbqt | data/3N/3NW9-NHE/3NW9-NHE_decoy_scores.csv |
3NLW-3XF | data/3N/3NLW-3XF/3NLW-3XF_ligand.pdbqt | data/3N/3NLW-3XF/3NLW-3XF_target.pdbqt | data/3N/3NLW-3XF/3NLW-3XF_decoys.pdbqt | data/3N/3NLW-3XF/3NLW-3XF_decoy_scores.csv |
3NW6-LGW | data/3N/3NW6-LGW/3NW6-LGW_ligand.pdbqt | data/3N/3NW6-LGW/3NW6-LGW_target.pdbqt | data/3N/3NW6-LGW/3NW6-LGW_decoys.pdbqt | data/3N/3NW6-LGW/3NW6-LGW_decoy_scores.csv |
3N2S-FMN | data/3N/3N2S-FMN/3N2S-FMN_ligand.pdbqt | data/3N/3N2S-FMN/3N2S-FMN_target.pdbqt | data/3N/3N2S-FMN/3N2S-FMN_decoys.pdbqt | data/3N/3N2S-FMN/3N2S-FMN_decoy_scores.csv |
3N5Z-XFM | data/3N/3N5Z-XFM/3N5Z-XFM_ligand.pdbqt | data/3N/3N5Z-XFM/3N5Z-XFM_target.pdbqt | data/3N/3N5Z-XFM/3N5Z-XFM_decoys.pdbqt | data/3N/3N5Z-XFM/3N5Z-XFM_decoy_scores.csv |
3NQ9-OCA | data/3N/3NQ9-OCA/3NQ9-OCA_ligand.pdbqt | data/3N/3NQ9-OCA/3NQ9-OCA_target.pdbqt | data/3N/3NQ9-OCA/3NQ9-OCA_decoys.pdbqt | data/3N/3NQ9-OCA/3NQ9-OCA_decoy_scores.csv |
3ND7-PNY | data/3N/3ND7-PNY/3ND7-PNY_ligand.pdbqt | data/3N/3ND7-PNY/3ND7-PNY_target.pdbqt | data/3N/3ND7-PNY/3ND7-PNY_decoys.pdbqt | data/3N/3ND7-PNY/3ND7-PNY_decoy_scores.csv |
3NF6-IMV | data/3N/3NF6-IMV/3NF6-IMV_ligand.pdbqt | data/3N/3NF6-IMV/3NF6-IMV_target.pdbqt | data/3N/3NF6-IMV/3NF6-IMV_decoys.pdbqt | data/3N/3NF6-IMV/3NF6-IMV_decoy_scores.csv |
3N67-XFN | data/3N/3N67-XFN/3N67-XFN_ligand.pdbqt | data/3N/3N67-XFN/3N67-XFN_target.pdbqt | null | null |
3NHH-THP | data/3N/3NHH-THP/3NHH-THP_ligand.pdbqt | data/3N/3NHH-THP/3NHH-THP_target.pdbqt | data/3N/3NHH-THP/3NHH-THP_decoys.pdbqt | data/3N/3NHH-THP/3NHH-THP_decoy_scores.csv |
3NDJ-SAH | data/3N/3NDJ-SAH/3NDJ-SAH_ligand.pdbqt | data/3N/3NDJ-SAH/3NDJ-SAH_target.pdbqt | data/3N/3NDJ-SAH/3NDJ-SAH_decoys.pdbqt | data/3N/3NDJ-SAH/3NDJ-SAH_decoy_scores.csv |
3NFA-CBJ | data/3N/3NFA-CBJ/3NFA-CBJ_ligand.pdbqt | data/3N/3NFA-CBJ/3NFA-CBJ_target.pdbqt | data/3N/3NFA-CBJ/3NFA-CBJ_decoys.pdbqt | data/3N/3NFA-CBJ/3NFA-CBJ_decoy_scores.csv |
3NIE-ANP | data/3N/3NIE-ANP/3NIE-ANP_ligand.pdbqt | data/3N/3NIE-ANP/3NIE-ANP_target.pdbqt | data/3N/3NIE-ANP/3NIE-ANP_decoys.pdbqt | data/3N/3NIE-ANP/3NIE-ANP_decoy_scores.csv |
3N45-3N3 | data/3N/3N45-3N3/3N45-3N3_ligand.pdbqt | data/3N/3N45-3N3/3N45-3N3_target.pdbqt | data/3N/3N45-3N3/3N45-3N3_decoys.pdbqt | data/3N/3N45-3N3/3N45-3N3_decoy_scores.csv |
3N65-XFJ | data/3N/3N65-XFJ/3N65-XFJ_ligand.pdbqt | data/3N/3N65-XFJ/3N65-XFJ_target.pdbqt | data/3N/3N65-XFJ/3N65-XFJ_decoys.pdbqt | data/3N/3N65-XFJ/3N65-XFJ_decoy_scores.csv |
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