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 ⌀ |
|---|---|---|---|---|
1FS4-CRA | data/1F/1FS4-CRA/1FS4-CRA_ligand.pdbqt | data/1F/1FS4-CRA/1FS4-CRA_target.pdbqt | data/1F/1FS4-CRA/1FS4-CRA_decoys.pdbqt | data/1F/1FS4-CRA/1FS4-CRA_decoy_scores.csv |
1FSG-9DG | data/1F/1FSG-9DG/1FSG-9DG_ligand.pdbqt | data/1F/1FSG-9DG/1FSG-9DG_target.pdbqt | data/1F/1FSG-9DG/1FSG-9DG_decoys.pdbqt | data/1F/1FSG-9DG/1FSG-9DG_decoy_scores.csv |
1F1B-PAL | data/1F/1F1B-PAL/1F1B-PAL_ligand.pdbqt | data/1F/1F1B-PAL/1F1B-PAL_target.pdbqt | data/1F/1F1B-PAL/1F1B-PAL_decoys.pdbqt | data/1F/1F1B-PAL/1F1B-PAL_decoy_scores.csv |
1FUT-2GP | data/1F/1FUT-2GP/1FUT-2GP_ligand.pdbqt | data/1F/1FUT-2GP/1FUT-2GP_target.pdbqt | data/1F/1FUT-2GP/1FUT-2GP_decoys.pdbqt | data/1F/1FUT-2GP/1FUT-2GP_decoy_scores.csv |
1FTJ-GLU | data/1F/1FTJ-GLU/1FTJ-GLU_ligand.pdbqt | data/1F/1FTJ-GLU/1FTJ-GLU_target.pdbqt | data/1F/1FTJ-GLU/1FTJ-GLU_decoys.pdbqt | data/1F/1FTJ-GLU/1FTJ-GLU_decoy_scores.csv |
1FYF-SSA | data/1F/1FYF-SSA/1FYF-SSA_ligand.pdbqt | data/1F/1FYF-SSA/1FYF-SSA_target.pdbqt | data/1F/1FYF-SSA/1FYF-SSA_decoys.pdbqt | data/1F/1FYF-SSA/1FYF-SSA_decoy_scores.csv |
1FK4-STE | data/1F/1FK4-STE/1FK4-STE_ligand.pdbqt | data/1F/1FK4-STE/1FK4-STE_target.pdbqt | data/1F/1FK4-STE/1FK4-STE_decoys.pdbqt | data/1F/1FK4-STE/1FK4-STE_decoy_scores.csv |
1FD0-LMU | data/1F/1FD0-LMU/1FD0-LMU_ligand.pdbqt | data/1F/1FD0-LMU/1FD0-LMU_target.pdbqt | data/1F/1FD0-LMU/1FD0-LMU_decoys.pdbqt | data/1F/1FD0-LMU/1FD0-LMU_decoy_scores.csv |
1F50-RET | data/1F/1F50-RET/1F50-RET_ligand.pdbqt | data/1F/1F50-RET/1F50-RET_target.pdbqt | data/1F/1F50-RET/1F50-RET_decoys.pdbqt | data/1F/1F50-RET/1F50-RET_decoy_scores.csv |
1FTN-GDP | data/1F/1FTN-GDP/1FTN-GDP_ligand.pdbqt | data/1F/1FTN-GDP/1FTN-GDP_target.pdbqt | data/1F/1FTN-GDP/1FTN-GDP_decoys.pdbqt | data/1F/1FTN-GDP/1FTN-GDP_decoy_scores.csv |
1FPJ-AMP | data/1F/1FPJ-AMP/1FPJ-AMP_ligand.pdbqt | data/1F/1FPJ-AMP/1FPJ-AMP_target.pdbqt | null | null |
1F17-NAI | data/1F/1F17-NAI/1F17-NAI_ligand.pdbqt | data/1F/1F17-NAI/1F17-NAI_target.pdbqt | data/1F/1F17-NAI/1F17-NAI_decoys.pdbqt | data/1F/1F17-NAI/1F17-NAI_decoy_scores.csv |
1FO2-DMJ | data/1F/1FO2-DMJ/1FO2-DMJ_ligand.pdbqt | data/1F/1FO2-DMJ/1FO2-DMJ_target.pdbqt | data/1F/1FO2-DMJ/1FO2-DMJ_decoys.pdbqt | data/1F/1FO2-DMJ/1FO2-DMJ_decoy_scores.csv |
1FPE-AHG | data/1F/1FPE-AHG/1FPE-AHG_ligand.pdbqt | data/1F/1FPE-AHG/1FPE-AHG_target.pdbqt | data/1F/1FPE-AHG/1FPE-AHG_decoys.pdbqt | data/1F/1FPE-AHG/1FPE-AHG_decoy_scores.csv |
1F7S-LDA | data/1F/1F7S-LDA/1F7S-LDA_ligand.pdbqt | data/1F/1F7S-LDA/1F7S-LDA_target.pdbqt | data/1F/1F7S-LDA/1F7S-LDA_decoys.pdbqt | data/1F/1F7S-LDA/1F7S-LDA_decoy_scores.csv |
1FKG-SB3 | data/1F/1FKG-SB3/1FKG-SB3_ligand.pdbqt | data/1F/1FKG-SB3/1FKG-SB3_target.pdbqt | data/1F/1FKG-SB3/1FKG-SB3_decoys.pdbqt | data/1F/1FKG-SB3/1FKG-SB3_decoy_scores.csv |
1FXQ-A5P | data/1F/1FXQ-A5P/1FXQ-A5P_ligand.pdbqt | data/1F/1FXQ-A5P/1FXQ-A5P_target.pdbqt | data/1F/1FXQ-A5P/1FXQ-A5P_decoys.pdbqt | data/1F/1FXQ-A5P/1FXQ-A5P_decoy_scores.csv |
1FAK-GLC | data/1F/1FAK-GLC/1FAK-GLC_ligand.pdbqt | data/1F/1FAK-GLC/1FAK-GLC_target.pdbqt | data/1F/1FAK-GLC/1FAK-GLC_decoys.pdbqt | data/1F/1FAK-GLC/1FAK-GLC_decoy_scores.csv |
1FP2-HMO | data/1F/1FP2-HMO/1FP2-HMO_ligand.pdbqt | data/1F/1FP2-HMO/1FP2-HMO_target.pdbqt | data/1F/1FP2-HMO/1FP2-HMO_decoys.pdbqt | data/1F/1FP2-HMO/1FP2-HMO_decoy_scores.csv |
1FXO-TMP | data/1F/1FXO-TMP/1FXO-TMP_ligand.pdbqt | data/1F/1FXO-TMP/1FXO-TMP_target.pdbqt | data/1F/1FXO-TMP/1FXO-TMP_decoys.pdbqt | data/1F/1FXO-TMP/1FXO-TMP_decoy_scores.csv |
1FJ4-TLM | data/1F/1FJ4-TLM/1FJ4-TLM_ligand.pdbqt | data/1F/1FJ4-TLM/1FJ4-TLM_target.pdbqt | data/1F/1FJ4-TLM/1FJ4-TLM_decoys.pdbqt | data/1F/1FJ4-TLM/1FJ4-TLM_decoy_scores.csv |
1FLN-FMN | data/1F/1FLN-FMN/1FLN-FMN_ligand.pdbqt | data/1F/1FLN-FMN/1FLN-FMN_target.pdbqt | data/1F/1FLN-FMN/1FLN-FMN_decoys.pdbqt | data/1F/1FLN-FMN/1FLN-FMN_decoy_scores.csv |
1FWT-PEP | data/1F/1FWT-PEP/1FWT-PEP_ligand.pdbqt | data/1F/1FWT-PEP/1FWT-PEP_target.pdbqt | data/1F/1FWT-PEP/1FWT-PEP_decoys.pdbqt | data/1F/1FWT-PEP/1FWT-PEP_decoy_scores.csv |
1FM7-DFV | data/1F/1FM7-DFV/1FM7-DFV_ligand.pdbqt | data/1F/1FM7-DFV/1FM7-DFV_target.pdbqt | data/1F/1FM7-DFV/1FM7-DFV_decoys.pdbqt | data/1F/1FM7-DFV/1FM7-DFV_decoy_scores.csv |
1FM9-9CR | data/1F/1FM9-9CR/1FM9-9CR_ligand.pdbqt | data/1F/1FM9-9CR/1FM9-9CR_target.pdbqt | data/1F/1FM9-9CR/1FM9-9CR_decoys.pdbqt | data/1F/1FM9-9CR/1FM9-9CR_decoy_scores.csv |
1FD7-AI1 | data/1F/1FD7-AI1/1FD7-AI1_ligand.pdbqt | data/1F/1FD7-AI1/1FD7-AI1_target.pdbqt | data/1F/1FD7-AI1/1FD7-AI1_decoys.pdbqt | data/1F/1FD7-AI1/1FD7-AI1_decoy_scores.csv |
1F2A-VS2 | data/1F/1F2A-VS2/1F2A-VS2_ligand.pdbqt | data/1F/1F2A-VS2/1F2A-VS2_target.pdbqt | data/1F/1F2A-VS2/1F2A-VS2_decoys.pdbqt | data/1F/1F2A-VS2/1F2A-VS2_decoy_scores.csv |
1FXU-GU7 | data/1F/1FXU-GU7/1FXU-GU7_ligand.pdbqt | data/1F/1FXU-GU7/1FXU-GU7_target.pdbqt | data/1F/1FXU-GU7/1FXU-GU7_decoys.pdbqt | data/1F/1FXU-GU7/1FXU-GU7_decoy_scores.csv |
1F3E-DPZ | data/1F/1F3E-DPZ/1F3E-DPZ_ligand.pdbqt | data/1F/1F3E-DPZ/1F3E-DPZ_target.pdbqt | data/1F/1F3E-DPZ/1F3E-DPZ_decoys.pdbqt | data/1F/1F3E-DPZ/1F3E-DPZ_decoy_scores.csv |
1FZU-2GP | data/1F/1FZU-2GP/1FZU-2GP_ligand.pdbqt | data/1F/1FZU-2GP/1FZU-2GP_target.pdbqt | data/1F/1FZU-2GP/1FZU-2GP_decoys.pdbqt | data/1F/1FZU-2GP/1FZU-2GP_decoy_scores.csv |
1FBL-HTA | data/1F/1FBL-HTA/1FBL-HTA_ligand.pdbqt | data/1F/1FBL-HTA/1FBL-HTA_target.pdbqt | data/1F/1FBL-HTA/1FBL-HTA_decoys.pdbqt | data/1F/1FBL-HTA/1FBL-HTA_decoy_scores.csv |
1FA9-AMP | data/1F/1FA9-AMP/1FA9-AMP_ligand.pdbqt | data/1F/1FA9-AMP/1FA9-AMP_target.pdbqt | data/1F/1FA9-AMP/1FA9-AMP_decoys.pdbqt | data/1F/1FA9-AMP/1FA9-AMP_decoy_scores.csv |
1F4Z-SQU | data/1F/1F4Z-SQU/1F4Z-SQU_ligand.pdbqt | data/1F/1F4Z-SQU/1F4Z-SQU_target.pdbqt | data/1F/1F4Z-SQU/1F4Z-SQU_decoys.pdbqt | data/1F/1F4Z-SQU/1F4Z-SQU_decoy_scores.csv |
1F9U-ADP | data/1F/1F9U-ADP/1F9U-ADP_ligand.pdbqt | data/1F/1F9U-ADP/1F9U-ADP_target.pdbqt | data/1F/1F9U-ADP/1F9U-ADP_decoys.pdbqt | data/1F/1F9U-ADP/1F9U-ADP_decoy_scores.csv |
1FTQ-GL2 | data/1F/1FTQ-GL2/1FTQ-GL2_ligand.pdbqt | data/1F/1FTQ-GL2/1FTQ-GL2_target.pdbqt | data/1F/1FTQ-GL2/1FTQ-GL2_decoys.pdbqt | data/1F/1FTQ-GL2/1FTQ-GL2_decoy_scores.csv |
1FDK-GLE | data/1F/1FDK-GLE/1FDK-GLE_ligand.pdbqt | data/1F/1FDK-GLE/1FDK-GLE_target.pdbqt | data/1F/1FDK-GLE/1FDK-GLE_decoys.pdbqt | data/1F/1FDK-GLE/1FDK-GLE_decoy_scores.csv |
1FM8-DDC | data/1F/1FM8-DDC/1FM8-DDC_ligand.pdbqt | data/1F/1FM8-DDC/1FM8-DDC_target.pdbqt | data/1F/1FM8-DDC/1FM8-DDC_decoys.pdbqt | data/1F/1FM8-DDC/1FM8-DDC_decoy_scores.csv |
1F4P-FMN | data/1F/1F4P-FMN/1F4P-FMN_ligand.pdbqt | data/1F/1F4P-FMN/1F4P-FMN_target.pdbqt | data/1F/1F4P-FMN/1F4P-FMN_decoys.pdbqt | data/1F/1F4P-FMN/1F4P-FMN_decoy_scores.csv |
1FPD-AHG | data/1F/1FPD-AHG/1FPD-AHG_ligand.pdbqt | data/1F/1FPD-AHG/1FPD-AHG_target.pdbqt | data/1F/1FPD-AHG/1FPD-AHG_decoys.pdbqt | data/1F/1FPD-AHG/1FPD-AHG_decoy_scores.csv |
1FXY-0G6 | data/1F/1FXY-0G6/1FXY-0G6_ligand.pdbqt | data/1F/1FXY-0G6/1FXY-0G6_target.pdbqt | data/1F/1FXY-0G6/1FXY-0G6_decoys.pdbqt | data/1F/1FXY-0G6/1FXY-0G6_decoy_scores.csv |
1FK3-PAM | data/1F/1FK3-PAM/1FK3-PAM_ligand.pdbqt | data/1F/1FK3-PAM/1FK3-PAM_target.pdbqt | data/1F/1FK3-PAM/1FK3-PAM_decoys.pdbqt | data/1F/1FK3-PAM/1FK3-PAM_decoy_scores.csv |
1FQG-PNM | data/1F/1FQG-PNM/1FQG-PNM_ligand.pdbqt | data/1F/1FQG-PNM/1FQG-PNM_target.pdbqt | data/1F/1FQG-PNM/1FQG-PNM_decoys.pdbqt | data/1F/1FQG-PNM/1FQG-PNM_decoy_scores.csv |
1FUE-FMN | data/1F/1FUE-FMN/1FUE-FMN_ligand.pdbqt | data/1F/1FUE-FMN/1FUE-FMN_target.pdbqt | data/1F/1FUE-FMN/1FUE-FMN_decoys.pdbqt | data/1F/1FUE-FMN/1FUE-FMN_decoy_scores.csv |
1FCM-CXU | data/1F/1FCM-CXU/1FCM-CXU_ligand.pdbqt | data/1F/1FCM-CXU/1FCM-CXU_target.pdbqt | data/1F/1FCM-CXU/1FCM-CXU_decoys.pdbqt | data/1F/1FCM-CXU/1FCM-CXU_decoy_scores.csv |
1FIT-FRU | data/1F/1FIT-FRU/1FIT-FRU_ligand.pdbqt | data/1F/1FIT-FRU/1FIT-FRU_target.pdbqt | data/1F/1FIT-FRU/1FIT-FRU_decoys.pdbqt | data/1F/1FIT-FRU/1FIT-FRU_decoy_scores.csv |
1F76-ORO | data/1F/1F76-ORO/1F76-ORO_ligand.pdbqt | data/1F/1F76-ORO/1F76-ORO_target.pdbqt | data/1F/1F76-ORO/1F76-ORO_decoys.pdbqt | data/1F/1F76-ORO/1F76-ORO_decoy_scores.csv |
1F9T-ADP | data/1F/1F9T-ADP/1F9T-ADP_ligand.pdbqt | data/1F/1F9T-ADP/1F9T-ADP_target.pdbqt | data/1F/1F9T-ADP/1F9T-ADP_decoys.pdbqt | data/1F/1F9T-ADP/1F9T-ADP_decoy_scores.csv |
1FHW-I5P | data/1F/1FHW-I5P/1FHW-I5P_ligand.pdbqt | data/1F/1FHW-I5P/1FHW-I5P_target.pdbqt | data/1F/1FHW-I5P/1FHW-I5P_decoys.pdbqt | data/1F/1FHW-I5P/1FHW-I5P_decoy_scores.csv |
1FYD-AMP | data/1F/1FYD-AMP/1FYD-AMP_ligand.pdbqt | data/1F/1FYD-AMP/1FYD-AMP_target.pdbqt | data/1F/1FYD-AMP/1FYD-AMP_decoys.pdbqt | data/1F/1FYD-AMP/1FYD-AMP_decoy_scores.csv |
1FVT-106 | data/1F/1FVT-106/1FVT-106_ligand.pdbqt | data/1F/1FVT-106/1FVT-106_target.pdbqt | data/1F/1FVT-106/1FVT-106_decoys.pdbqt | data/1F/1FVT-106/1FVT-106_decoy_scores.csv |
1F5K-BEN | data/1F/1F5K-BEN/1F5K-BEN_ligand.pdbqt | data/1F/1F5K-BEN/1F5K-BEN_target.pdbqt | data/1F/1F5K-BEN/1F5K-BEN_decoys.pdbqt | data/1F/1F5K-BEN/1F5K-BEN_decoy_scores.csv |
1FIQ-SAL | data/1F/1FIQ-SAL/1FIQ-SAL_ligand.pdbqt | data/1F/1FIQ-SAL/1FIQ-SAL_target.pdbqt | null | null |
1FK8-NAD | data/1F/1FK8-NAD/1FK8-NAD_ligand.pdbqt | data/1F/1FK8-NAD/1FK8-NAD_target.pdbqt | data/1F/1FK8-NAD/1FK8-NAD_decoys.pdbqt | data/1F/1FK8-NAD/1FK8-NAD_decoy_scores.csv |
1F4X-MGS | data/1F/1F4X-MGS/1F4X-MGS_ligand.pdbqt | data/1F/1F4X-MGS/1F4X-MGS_target.pdbqt | data/1F/1F4X-MGS/1F4X-MGS_decoys.pdbqt | data/1F/1F4X-MGS/1F4X-MGS_decoy_scores.csv |
1FU8-CR6 | data/1F/1FU8-CR6/1FU8-CR6_ligand.pdbqt | data/1F/1FU8-CR6/1FU8-CR6_target.pdbqt | data/1F/1FU8-CR6/1FU8-CR6_decoys.pdbqt | data/1F/1FU8-CR6/1FU8-CR6_decoy_scores.csv |
1F29-VS1 | data/1F/1F29-VS1/1F29-VS1_ligand.pdbqt | data/1F/1F29-VS1/1F29-VS1_target.pdbqt | data/1F/1F29-VS1/1F29-VS1_decoys.pdbqt | data/1F/1F29-VS1/1F29-VS1_decoy_scores.csv |
1FO3-KIF | data/1F/1FO3-KIF/1FO3-KIF_ligand.pdbqt | data/1F/1FO3-KIF/1FO3-KIF_target.pdbqt | data/1F/1FO3-KIF/1FO3-KIF_decoys.pdbqt | data/1F/1FO3-KIF/1FO3-KIF_decoy_scores.csv |
1FO4-MTE | data/1F/1FO4-MTE/1FO4-MTE_ligand.pdbqt | data/1F/1FO4-MTE/1FO4-MTE_target.pdbqt | null | null |
1FO4-SAL | data/1F/1FO4-SAL/1FO4-SAL_ligand.pdbqt | data/1F/1FO4-SAL/1FO4-SAL_target.pdbqt | null | null |
1FRB-ZST | data/1F/1FRB-ZST/1FRB-ZST_ligand.pdbqt | data/1F/1FRB-ZST/1FRB-ZST_target.pdbqt | data/1F/1FRB-ZST/1FRB-ZST_decoys.pdbqt | data/1F/1FRB-ZST/1FRB-ZST_decoy_scores.csv |
7X7X-AJW | data/7X/7X7X-AJW/7X7X-AJW_ligand.pdbqt | data/7X/7X7X-AJW/7X7X-AJW_target.pdbqt | data/7X/7X7X-AJW/7X7X-AJW_decoys.pdbqt | data/7X/7X7X-AJW/7X7X-AJW_decoy_scores.csv |
7XJO-B3P | data/7X/7XJO-B3P/7XJO-B3P_ligand.pdbqt | data/7X/7XJO-B3P/7XJO-B3P_target.pdbqt | data/7X/7XJO-B3P/7XJO-B3P_decoys.pdbqt | data/7X/7XJO-B3P/7XJO-B3P_decoy_scores.csv |
7XFA-D9J | data/7X/7XFA-D9J/7XFA-D9J_ligand.pdbqt | data/7X/7XFA-D9J/7XFA-D9J_target.pdbqt | data/7X/7XFA-D9J/7XFA-D9J_decoys.pdbqt | data/7X/7XFA-D9J/7XFA-D9J_decoy_scores.csv |
7XMA-DMU | data/7X/7XMA-DMU/7XMA-DMU_ligand.pdbqt | data/7X/7XMA-DMU/7XMA-DMU_target.pdbqt | data/7X/7XMA-DMU/7XMA-DMU_decoys.pdbqt | data/7X/7XMA-DMU/7XMA-DMU_decoy_scores.csv |
7X17-868 | data/7X/7X17-868/7X17-868_ligand.pdbqt | data/7X/7X17-868/7X17-868_target.pdbqt | data/7X/7X17-868/7X17-868_decoys.pdbqt | data/7X/7X17-868/7X17-868_decoy_scores.csv |
7XZW-IEW | data/7X/7XZW-IEW/7XZW-IEW_ligand.pdbqt | data/7X/7XZW-IEW/7XZW-IEW_target.pdbqt | data/7X/7XZW-IEW/7XZW-IEW_decoys.pdbqt | data/7X/7XZW-IEW/7XZW-IEW_decoy_scores.csv |
7XNN-I0S | data/7X/7XNN-I0S/7XNN-I0S_ligand.pdbqt | data/7X/7XNN-I0S/7XNN-I0S_target.pdbqt | data/7X/7XNN-I0S/7XNN-I0S_decoys.pdbqt | data/7X/7XNN-I0S/7XNN-I0S_decoy_scores.csv |
7X73-SFG | data/7X/7X73-SFG/7X73-SFG_ligand.pdbqt | data/7X/7X73-SFG/7X73-SFG_target.pdbqt | data/7X/7X73-SFG/7X73-SFG_decoys.pdbqt | data/7X/7X73-SFG/7X73-SFG_decoy_scores.csv |
7X3Z-J3Z | data/7X/7X3Z-J3Z/7X3Z-J3Z_ligand.pdbqt | data/7X/7X3Z-J3Z/7X3Z-J3Z_target.pdbqt | data/7X/7X3Z-J3Z/7X3Z-J3Z_decoys.pdbqt | data/7X/7X3Z-J3Z/7X3Z-J3Z_decoy_scores.csv |
7XBB-B6V | data/7X/7XBB-B6V/7XBB-B6V_ligand.pdbqt | data/7X/7XBB-B6V/7XBB-B6V_target.pdbqt | data/7X/7XBB-B6V/7XBB-B6V_decoys.pdbqt | data/7X/7XBB-B6V/7XBB-B6V_decoy_scores.csv |
7X6K-9FF | data/7X/7X6K-9FF/7X6K-9FF_ligand.pdbqt | data/7X/7X6K-9FF/7X6K-9FF_target.pdbqt | data/7X/7X6K-9FF/7X6K-9FF_decoys.pdbqt | data/7X/7X6K-9FF/7X6K-9FF_decoy_scores.csv |
7XM2-GFD | data/7X/7XM2-GFD/7XM2-GFD_ligand.pdbqt | data/7X/7XM2-GFD/7XM2-GFD_target.pdbqt | data/7X/7XM2-GFD/7XM2-GFD_decoys.pdbqt | data/7X/7XM2-GFD/7XM2-GFD_decoy_scores.csv |
7X8H-AIY | data/7X/7X8H-AIY/7X8H-AIY_ligand.pdbqt | data/7X/7X8H-AIY/7X8H-AIY_target.pdbqt | data/7X/7X8H-AIY/7X8H-AIY_decoys.pdbqt | data/7X/7X8H-AIY/7X8H-AIY_decoy_scores.csv |
7X1L-NAD | data/7X/7X1L-NAD/7X1L-NAD_ligand.pdbqt | data/7X/7X1L-NAD/7X1L-NAD_target.pdbqt | data/7X/7X1L-NAD/7X1L-NAD_decoys.pdbqt | data/7X/7X1L-NAD/7X1L-NAD_decoy_scores.csv |
7XMU-HSX | data/7X/7XMU-HSX/7XMU-HSX_ligand.pdbqt | data/7X/7XMU-HSX/7XMU-HSX_target.pdbqt | data/7X/7XMU-HSX/7XMU-HSX_decoys.pdbqt | data/7X/7XMU-HSX/7XMU-HSX_decoy_scores.csv |
7XB4-4WI | data/7X/7XB4-4WI/7XB4-4WI_ligand.pdbqt | data/7X/7XB4-4WI/7XB4-4WI_target.pdbqt | data/7X/7XB4-4WI/7XB4-4WI_decoys.pdbqt | data/7X/7XB4-4WI/7XB4-4WI_decoy_scores.csv |
7X86-A3I | data/7X/7X86-A3I/7X86-A3I_ligand.pdbqt | data/7X/7X86-A3I/7X86-A3I_target.pdbqt | data/7X/7X86-A3I/7X86-A3I_decoys.pdbqt | data/7X/7X86-A3I/7X86-A3I_decoy_scores.csv |
7XTP-MGO | data/7X/7XTP-MGO/7XTP-MGO_ligand.pdbqt | data/7X/7XTP-MGO/7XTP-MGO_target.pdbqt | data/7X/7XTP-MGO/7XTP-MGO_decoys.pdbqt | data/7X/7XTP-MGO/7XTP-MGO_decoy_scores.csv |
7XWK-I8L | data/7X/7XWK-I8L/7XWK-I8L_ligand.pdbqt | data/7X/7XWK-I8L/7XWK-I8L_target.pdbqt | data/7X/7XWK-I8L/7XWK-I8L_decoys.pdbqt | data/7X/7XWK-I8L/7XWK-I8L_decoy_scores.csv |
7XJ4-E9B | data/7X/7XJ4-E9B/7XJ4-E9B_ligand.pdbqt | data/7X/7XJ4-E9B/7XJ4-E9B_target.pdbqt | data/7X/7XJ4-E9B/7XJ4-E9B_decoys.pdbqt | data/7X/7XJ4-E9B/7XJ4-E9B_decoy_scores.csv |
7X5X-9V4 | data/7X/7X5X-9V4/7X5X-9V4_ligand.pdbqt | data/7X/7X5X-9V4/7X5X-9V4_target.pdbqt | data/7X/7X5X-9V4/7X5X-9V4_decoys.pdbqt | data/7X/7X5X-9V4/7X5X-9V4_decoy_scores.csv |
7XWP-I1I | data/7X/7XWP-I1I/7XWP-I1I_ligand.pdbqt | data/7X/7XWP-I1I/7XWP-I1I_target.pdbqt | data/7X/7XWP-I1I/7XWP-I1I_decoys.pdbqt | data/7X/7XWP-I1I/7XWP-I1I_decoy_scores.csv |
7XIF-MTA | data/7X/7XIF-MTA/7XIF-MTA_ligand.pdbqt | data/7X/7XIF-MTA/7XIF-MTA_target.pdbqt | data/7X/7XIF-MTA/7XIF-MTA_decoys.pdbqt | data/7X/7XIF-MTA/7XIF-MTA_decoy_scores.csv |
7XIU-E81 | data/7X/7XIU-E81/7XIU-E81_ligand.pdbqt | data/7X/7XIU-E81/7XIU-E81_target.pdbqt | data/7X/7XIU-E81/7XIU-E81_decoys.pdbqt | data/7X/7XIU-E81/7XIU-E81_decoy_scores.csv |
7XEY-ADP | data/7X/7XEY-ADP/7XEY-ADP_ligand.pdbqt | data/7X/7XEY-ADP/7XEY-ADP_target.pdbqt | data/7X/7XEY-ADP/7XEY-ADP_decoys.pdbqt | data/7X/7XEY-ADP/7XEY-ADP_decoy_scores.csv |
7XAX-3WL | data/7X/7XAX-3WL/7XAX-3WL_ligand.pdbqt | data/7X/7XAX-3WL/7XAX-3WL_target.pdbqt | data/7X/7XAX-3WL/7XAX-3WL_decoys.pdbqt | data/7X/7XAX-3WL/7XAX-3WL_decoy_scores.csv |
7XZU-IEK | data/7X/7XZU-IEK/7XZU-IEK_ligand.pdbqt | data/7X/7XZU-IEK/7XZU-IEK_target.pdbqt | data/7X/7XZU-IEK/7XZU-IEK_decoys.pdbqt | data/7X/7XZU-IEK/7XZU-IEK_decoy_scores.csv |
7X48-KNA | data/7X/7X48-KNA/7X48-KNA_ligand.pdbqt | data/7X/7X48-KNA/7X48-KNA_target.pdbqt | data/7X/7X48-KNA/7X48-KNA_decoys.pdbqt | data/7X/7X48-KNA/7X48-KNA_decoy_scores.csv |
7XJD-RET | data/7X/7XJD-RET/7XJD-RET_ligand.pdbqt | data/7X/7XJD-RET/7XJD-RET_target.pdbqt | data/7X/7XJD-RET/7XJD-RET_decoys.pdbqt | data/7X/7XJD-RET/7XJD-RET_decoy_scores.csv |
7XJD-SQU | data/7X/7XJD-SQU/7XJD-SQU_ligand.pdbqt | data/7X/7XJD-SQU/7XJD-SQU_target.pdbqt | data/7X/7XJD-SQU/7XJD-SQU_decoys.pdbqt | data/7X/7XJD-SQU/7XJD-SQU_decoy_scores.csv |
7X2Y-3HB | data/7X/7X2Y-3HB/7X2Y-3HB_ligand.pdbqt | data/7X/7X2Y-3HB/7X2Y-3HB_target.pdbqt | data/7X/7X2Y-3HB/7X2Y-3HB_decoys.pdbqt | data/7X/7X2Y-3HB/7X2Y-3HB_decoy_scores.csv |
7XEF-D0I | data/7X/7XEF-D0I/7XEF-D0I_ligand.pdbqt | data/7X/7XEF-D0I/7XEF-D0I_target.pdbqt | data/7X/7XEF-D0I/7XEF-D0I_decoys.pdbqt | data/7X/7XEF-D0I/7XEF-D0I_decoy_scores.csv |
7X4Q-UTP | data/7X/7X4Q-UTP/7X4Q-UTP_ligand.pdbqt | data/7X/7X4Q-UTP/7X4Q-UTP_target.pdbqt | data/7X/7X4Q-UTP/7X4Q-UTP_decoys.pdbqt | data/7X/7X4Q-UTP/7X4Q-UTP_decoy_scores.csv |
7XRY-HUR | data/7X/7XRY-HUR/7XRY-HUR_ligand.pdbqt | data/7X/7XRY-HUR/7XRY-HUR_target.pdbqt | data/7X/7XRY-HUR/7XRY-HUR_decoys.pdbqt | data/7X/7XRY-HUR/7XRY-HUR_decoy_scores.csv |
7X9N-8DG | data/7X/7X9N-8DG/7X9N-8DG_ligand.pdbqt | data/7X/7X9N-8DG/7X9N-8DG_target.pdbqt | data/7X/7X9N-8DG/7X9N-8DG_decoys.pdbqt | data/7X/7X9N-8DG/7X9N-8DG_decoy_scores.csv |
7XWQ-I1M | data/7X/7XWQ-I1M/7XWQ-I1M_ligand.pdbqt | data/7X/7XWQ-I1M/7XWQ-I1M_target.pdbqt | data/7X/7XWQ-I1M/7XWQ-I1M_decoys.pdbqt | data/7X/7XWQ-I1M/7XWQ-I1M_decoy_scores.csv |
7XAB-AWI | data/7X/7XAB-AWI/7XAB-AWI_ligand.pdbqt | data/7X/7XAB-AWI/7XAB-AWI_target.pdbqt | data/7X/7XAB-AWI/7XAB-AWI_decoys.pdbqt | data/7X/7XAB-AWI/7XAB-AWI_decoy_scores.csv |
7XIG-MTA | data/7X/7XIG-MTA/7XIG-MTA_ligand.pdbqt | data/7X/7XIG-MTA/7XIG-MTA_target.pdbqt | data/7X/7XIG-MTA/7XIG-MTA_decoys.pdbqt | data/7X/7XIG-MTA/7XIG-MTA_decoy_scores.csv |
7XJC-RET | data/7X/7XJC-RET/7XJC-RET_ligand.pdbqt | data/7X/7XJC-RET/7XJC-RET_target.pdbqt | data/7X/7XJC-RET/7XJC-RET_decoys.pdbqt | data/7X/7XJC-RET/7XJC-RET_decoy_scores.csv |
7X2B-NRQ | data/7X/7X2B-NRQ/7X2B-NRQ_ligand.pdbqt | data/7X/7X2B-NRQ/7X2B-NRQ_target.pdbqt | data/7X/7X2B-NRQ/7X2B-NRQ_decoys.pdbqt | data/7X/7X2B-NRQ/7X2B-NRQ_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.