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 ⌀ |
|---|---|---|---|---|
5EXO-5SY | data/5E/5EXO-5SY/5EXO-5SY_ligand.pdbqt | data/5E/5EXO-5SY/5EXO-5SY_target.pdbqt | data/5E/5EXO-5SY/5EXO-5SY_decoys.pdbqt | data/5E/5EXO-5SY/5EXO-5SY_decoy_scores.csv |
5EOL-5QO | data/5E/5EOL-5QO/5EOL-5QO_ligand.pdbqt | data/5E/5EOL-5QO/5EOL-5QO_target.pdbqt | data/5E/5EOL-5QO/5EOL-5QO_decoys.pdbqt | data/5E/5EOL-5QO/5EOL-5QO_decoy_scores.csv |
5EGT-THP | data/5E/5EGT-THP/5EGT-THP_ligand.pdbqt | data/5E/5EGT-THP/5EGT-THP_target.pdbqt | data/5E/5EGT-THP/5EGT-THP_decoys.pdbqt | data/5E/5EGT-THP/5EGT-THP_decoy_scores.csv |
5ECI-JAA | data/5E/5ECI-JAA/5ECI-JAA_ligand.pdbqt | data/5E/5ECI-JAA/5ECI-JAA_target.pdbqt | data/5E/5ECI-JAA/5ECI-JAA_decoys.pdbqt | data/5E/5ECI-JAA/5ECI-JAA_decoy_scores.csv |
5EYT-AMP | data/5E/5EYT-AMP/5EYT-AMP_ligand.pdbqt | data/5E/5EYT-AMP/5EYT-AMP_target.pdbqt | data/5E/5EYT-AMP/5EYT-AMP_decoys.pdbqt | data/5E/5EYT-AMP/5EYT-AMP_decoy_scores.csv |
5EHG-5O0 | data/5E/5EHG-5O0/5EHG-5O0_ligand.pdbqt | data/5E/5EHG-5O0/5EHG-5O0_target.pdbqt | data/5E/5EHG-5O0/5EHG-5O0_decoys.pdbqt | data/5E/5EHG-5O0/5EHG-5O0_decoy_scores.csv |
5EOU-ATP | data/5E/5EOU-ATP/5EOU-ATP_ligand.pdbqt | data/5E/5EOU-ATP/5EOU-ATP_target.pdbqt | data/5E/5EOU-ATP/5EOU-ATP_decoys.pdbqt | data/5E/5EOU-ATP/5EOU-ATP_decoy_scores.csv |
5EKX-2CQ | data/5E/5EKX-2CQ/5EKX-2CQ_ligand.pdbqt | data/5E/5EKX-2CQ/5EKX-2CQ_target.pdbqt | data/5E/5EKX-2CQ/5EKX-2CQ_decoys.pdbqt | data/5E/5EKX-2CQ/5EKX-2CQ_decoy_scores.csv |
5EG2-SAH | data/5E/5EG2-SAH/5EG2-SAH_ligand.pdbqt | data/5E/5EG2-SAH/5EG2-SAH_target.pdbqt | data/5E/5EG2-SAH/5EG2-SAH_decoys.pdbqt | data/5E/5EG2-SAH/5EG2-SAH_decoy_scores.csv |
5EFO-CTN | data/5E/5EFO-CTN/5EFO-CTN_ligand.pdbqt | data/5E/5EFO-CTN/5EFO-CTN_target.pdbqt | data/5E/5EFO-CTN/5EFO-CTN_decoys.pdbqt | data/5E/5EFO-CTN/5EFO-CTN_decoy_scores.csv |
5EW0-3C7 | data/5E/5EW0-3C7/5EW0-3C7_ligand.pdbqt | data/5E/5EW0-3C7/5EW0-3C7_target.pdbqt | data/5E/5EW0-3C7/5EW0-3C7_decoys.pdbqt | data/5E/5EW0-3C7/5EW0-3C7_decoy_scores.csv |
5EX5-7DD | data/5E/5EX5-7DD/5EX5-7DD_ligand.pdbqt | data/5E/5EX5-7DD/5EX5-7DD_target.pdbqt | data/5E/5EX5-7DD/5EX5-7DD_decoys.pdbqt | data/5E/5EX5-7DD/5EX5-7DD_decoy_scores.csv |
5ETR-5RW | data/5E/5ETR-5RW/5ETR-5RW_ligand.pdbqt | data/5E/5ETR-5RW/5ETR-5RW_target.pdbqt | data/5E/5ETR-5RW/5ETR-5RW_decoys.pdbqt | data/5E/5ETR-5RW/5ETR-5RW_decoy_scores.csv |
5E7X-PLM | data/5E/5E7X-PLM/5E7X-PLM_ligand.pdbqt | data/5E/5E7X-PLM/5E7X-PLM_target.pdbqt | data/5E/5E7X-PLM/5E7X-PLM_decoys.pdbqt | data/5E/5E7X-PLM/5E7X-PLM_decoy_scores.csv |
5E1B-SAH | data/5E/5E1B-SAH/5E1B-SAH_ligand.pdbqt | data/5E/5E1B-SAH/5E1B-SAH_target.pdbqt | data/5E/5E1B-SAH/5E1B-SAH_decoys.pdbqt | data/5E/5E1B-SAH/5E1B-SAH_decoy_scores.csv |
5EZ6-GDP | data/5E/5EZ6-GDP/5EZ6-GDP_ligand.pdbqt | data/5E/5EZ6-GDP/5EZ6-GDP_target.pdbqt | data/5E/5EZ6-GDP/5EZ6-GDP_decoys.pdbqt | data/5E/5EZ6-GDP/5EZ6-GDP_decoy_scores.csv |
5ERV-ADP | data/5E/5ERV-ADP/5ERV-ADP_ligand.pdbqt | data/5E/5ERV-ADP/5ERV-ADP_target.pdbqt | data/5E/5ERV-ADP/5ERV-ADP_decoys.pdbqt | data/5E/5ERV-ADP/5ERV-ADP_decoy_scores.csv |
5EEG-S8M | data/5E/5EEG-S8M/5EEG-S8M_ligand.pdbqt | data/5E/5EEG-S8M/5EEG-S8M_target.pdbqt | data/5E/5EEG-S8M/5EEG-S8M_decoys.pdbqt | data/5E/5EEG-S8M/5EEG-S8M_decoy_scores.csv |
5EWA-9BZ | data/5E/5EWA-9BZ/5EWA-9BZ_ligand.pdbqt | data/5E/5EWA-9BZ/5EWA-9BZ_target.pdbqt | data/5E/5EWA-9BZ/5EWA-9BZ_decoys.pdbqt | data/5E/5EWA-9BZ/5EWA-9BZ_decoy_scores.csv |
5EM3-5Q0 | data/5E/5EM3-5Q0/5EM3-5Q0_ligand.pdbqt | data/5E/5EM3-5Q0/5EM3-5Q0_target.pdbqt | data/5E/5EM3-5Q0/5EM3-5Q0_decoys.pdbqt | data/5E/5EM3-5Q0/5EM3-5Q0_decoy_scores.csv |
5EHY-5O4 | data/5E/5EHY-5O4/5EHY-5O4_ligand.pdbqt | data/5E/5EHY-5O4/5EHY-5O4_target.pdbqt | data/5E/5EHY-5O4/5EHY-5O4_decoys.pdbqt | data/5E/5EHY-5O4/5EHY-5O4_decoy_scores.csv |
5ETZ-BNG | data/5E/5ETZ-BNG/5ETZ-BNG_ligand.pdbqt | data/5E/5ETZ-BNG/5ETZ-BNG_target.pdbqt | data/5E/5ETZ-BNG/5ETZ-BNG_decoys.pdbqt | data/5E/5ETZ-BNG/5ETZ-BNG_decoy_scores.csv |
5EBT-5N8 | data/5E/5EBT-5N8/5EBT-5N8_ligand.pdbqt | data/5E/5EBT-5N8/5EBT-5N8_target.pdbqt | data/5E/5EBT-5N8/5EBT-5N8_decoys.pdbqt | data/5E/5EBT-5N8/5EBT-5N8_decoy_scores.csv |
5EKM-TG5 | data/5E/5EKM-TG5/5EKM-TG5_ligand.pdbqt | data/5E/5EKM-TG5/5EKM-TG5_target.pdbqt | data/5E/5EKM-TG5/5EKM-TG5_decoys.pdbqt | data/5E/5EKM-TG5/5EKM-TG5_decoy_scores.csv |
5EX4-TRP | data/5E/5EX4-TRP/5EX4-TRP_ligand.pdbqt | data/5E/5EX4-TRP/5EX4-TRP_target.pdbqt | data/5E/5EX4-TRP/5EX4-TRP_decoys.pdbqt | data/5E/5EX4-TRP/5EX4-TRP_decoy_scores.csv |
5E29-5JN | data/5E/5E29-5JN/5E29-5JN_ligand.pdbqt | data/5E/5E29-5JN/5E29-5JN_target.pdbqt | data/5E/5E29-5JN/5E29-5JN_decoys.pdbqt | data/5E/5E29-5JN/5E29-5JN_decoy_scores.csv |
5E68-PAV | data/5E/5E68-PAV/5E68-PAV_ligand.pdbqt | data/5E/5E68-PAV/5E68-PAV_target.pdbqt | data/5E/5E68-PAV/5E68-PAV_decoys.pdbqt | data/5E/5E68-PAV/5E68-PAV_decoy_scores.csv |
5EYN-ADP | data/5E/5EYN-ADP/5EYN-ADP_ligand.pdbqt | data/5E/5EYN-ADP/5EYN-ADP_target.pdbqt | null | null |
5EHI-SAM | data/5E/5EHI-SAM/5EHI-SAM_ligand.pdbqt | data/5E/5EHI-SAM/5EHI-SAM_target.pdbqt | data/5E/5EHI-SAM/5EHI-SAM_decoys.pdbqt | data/5E/5EHI-SAM/5EHI-SAM_decoy_scores.csv |
5E9W-SAH | data/5E/5E9W-SAH/5E9W-SAH_ligand.pdbqt | data/5E/5E9W-SAH/5E9W-SAH_target.pdbqt | data/5E/5E9W-SAH/5E9W-SAH_decoys.pdbqt | data/5E/5E9W-SAH/5E9W-SAH_decoy_scores.csv |
5ECQ-ATP | data/5E/5ECQ-ATP/5ECQ-ATP_ligand.pdbqt | data/5E/5ECQ-ATP/5ECQ-ATP_target.pdbqt | data/5E/5ECQ-ATP/5ECQ-ATP_decoys.pdbqt | data/5E/5ECQ-ATP/5ECQ-ATP_decoy_scores.csv |
5E1E-5JG | data/5E/5E1E-5JG/5E1E-5JG_ligand.pdbqt | data/5E/5E1E-5JG/5E1E-5JG_target.pdbqt | data/5E/5E1E-5JG/5E1E-5JG_decoys.pdbqt | data/5E/5E1E-5JG/5E1E-5JG_decoy_scores.csv |
5EMY-5QP | data/5E/5EMY-5QP/5EMY-5QP_ligand.pdbqt | data/5E/5EMY-5QP/5EMY-5QP_target.pdbqt | data/5E/5EMY-5QP/5EMY-5QP_decoys.pdbqt | data/5E/5EMY-5QP/5EMY-5QP_decoy_scores.csv |
5EGM-NHE | data/5E/5EGM-NHE/5EGM-NHE_ligand.pdbqt | data/5E/5EGM-NHE/5EGM-NHE_target.pdbqt | data/5E/5EGM-NHE/5EGM-NHE_decoys.pdbqt | data/5E/5EGM-NHE/5EGM-NHE_decoy_scores.csv |
5EQC-GLC | data/5E/5EQC-GLC/5EQC-GLC_ligand.pdbqt | data/5E/5EQC-GLC/5EQC-GLC_target.pdbqt | data/5E/5EQC-GLC/5EQC-GLC_decoys.pdbqt | data/5E/5EQC-GLC/5EQC-GLC_decoy_scores.csv |
5EAR-5MQ | data/5E/5EAR-5MQ/5EAR-5MQ_ligand.pdbqt | data/5E/5EAR-5MQ/5EAR-5MQ_target.pdbqt | data/5E/5EAR-5MQ/5EAR-5MQ_decoys.pdbqt | data/5E/5EAR-5MQ/5EAR-5MQ_decoy_scores.csv |
5EE7-5MV | data/5E/5EE7-5MV/5EE7-5MV_ligand.pdbqt | data/5E/5EE7-5MV/5EE7-5MV_target.pdbqt | data/5E/5EE7-5MV/5EE7-5MV_decoys.pdbqt | data/5E/5EE7-5MV/5EE7-5MV_decoy_scores.csv |
5EXZ-GTP | data/5E/5EXZ-GTP/5EXZ-GTP_ligand.pdbqt | data/5E/5EXZ-GTP/5EXZ-GTP_target.pdbqt | data/5E/5EXZ-GTP/5EXZ-GTP_decoys.pdbqt | data/5E/5EXZ-GTP/5EXZ-GTP_decoy_scores.csv |
5ED6-AMP | data/5E/5ED6-AMP/5ED6-AMP_ligand.pdbqt | data/5E/5ED6-AMP/5ED6-AMP_target.pdbqt | data/5E/5ED6-AMP/5ED6-AMP_decoys.pdbqt | data/5E/5ED6-AMP/5ED6-AMP_decoy_scores.csv |
5ET4-C3P | data/5E/5ET4-C3P/5ET4-C3P_ligand.pdbqt | data/5E/5ET4-C3P/5ET4-C3P_target.pdbqt | data/5E/5ET4-C3P/5ET4-C3P_decoys.pdbqt | data/5E/5ET4-C3P/5ET4-C3P_decoy_scores.csv |
5EKJ-TG4 | data/5E/5EKJ-TG4/5EKJ-TG4_ligand.pdbqt | data/5E/5EKJ-TG4/5EKJ-TG4_target.pdbqt | data/5E/5EKJ-TG4/5EKJ-TG4_decoys.pdbqt | data/5E/5EKJ-TG4/5EKJ-TG4_decoy_scores.csv |
5ENK-5QV | data/5E/5ENK-5QV/5ENK-5QV_ligand.pdbqt | data/5E/5ENK-5QV/5ENK-5QV_target.pdbqt | data/5E/5ENK-5QV/5ENK-5QV_decoys.pdbqt | data/5E/5ENK-5QV/5ENK-5QV_decoy_scores.csv |
5EDE-5M6 | data/5E/5EDE-5M6/5EDE-5M6_ligand.pdbqt | data/5E/5EDE-5M6/5EDE-5M6_target.pdbqt | data/5E/5EDE-5M6/5EDE-5M6_decoys.pdbqt | data/5E/5EDE-5M6/5EDE-5M6_decoy_scores.csv |
5EHO-5O1 | data/5E/5EHO-5O1/5EHO-5O1_ligand.pdbqt | data/5E/5EHO-5O1/5EHO-5O1_target.pdbqt | data/5E/5EHO-5O1/5EHO-5O1_decoys.pdbqt | data/5E/5EHO-5O1/5EHO-5O1_decoy_scores.csv |
5EVY-SAL | data/5E/5EVY-SAL/5EVY-SAL_ligand.pdbqt | data/5E/5EVY-SAL/5EVY-SAL_target.pdbqt | data/5E/5EVY-SAL/5EVY-SAL_decoys.pdbqt | data/5E/5EVY-SAL/5EVY-SAL_decoy_scores.csv |
5E8Y-STU | data/5E/5E8Y-STU/5E8Y-STU_ligand.pdbqt | data/5E/5E8Y-STU/5E8Y-STU_target.pdbqt | data/5E/5E8Y-STU/5E8Y-STU_decoys.pdbqt | data/5E/5E8Y-STU/5E8Y-STU_decoy_scores.csv |
5EZY-TAJ | data/5E/5EZY-TAJ/5EZY-TAJ_ligand.pdbqt | data/5E/5EZY-TAJ/5EZY-TAJ_target.pdbqt | data/5E/5EZY-TAJ/5EZY-TAJ_decoys.pdbqt | data/5E/5EZY-TAJ/5EZY-TAJ_decoy_scores.csv |
5EQ1-BEA | data/5E/5EQ1-BEA/5EQ1-BEA_ligand.pdbqt | data/5E/5EQ1-BEA/5EQ1-BEA_target.pdbqt | data/5E/5EQ1-BEA/5EQ1-BEA_decoys.pdbqt | data/5E/5EQ1-BEA/5EQ1-BEA_decoy_scores.csv |
5ERM-210 | data/5E/5ERM-210/5ERM-210_ligand.pdbqt | data/5E/5ERM-210/5ERM-210_target.pdbqt | data/5E/5ERM-210/5ERM-210_decoys.pdbqt | data/5E/5ERM-210/5ERM-210_decoy_scores.csv |
5EFN-MCM | data/5E/5EFN-MCM/5EFN-MCM_ligand.pdbqt | data/5E/5EFN-MCM/5EFN-MCM_target.pdbqt | data/5E/5EFN-MCM/5EFN-MCM_decoys.pdbqt | data/5E/5EFN-MCM/5EFN-MCM_decoy_scores.csv |
5EXS-AGS | data/5E/5EXS-AGS/5EXS-AGS_ligand.pdbqt | data/5E/5EXS-AGS/5EXS-AGS_target.pdbqt | data/5E/5EXS-AGS/5EXS-AGS_decoys.pdbqt | data/5E/5EXS-AGS/5EXS-AGS_decoy_scores.csv |
5EY3-CTN | data/5E/5EY3-CTN/5EY3-CTN_ligand.pdbqt | data/5E/5EY3-CTN/5EY3-CTN_target.pdbqt | data/5E/5EY3-CTN/5EY3-CTN_decoys.pdbqt | data/5E/5EY3-CTN/5EY3-CTN_decoy_scores.csv |
5EJA-TD6 | data/5E/5EJA-TD6/5EJA-TD6_ligand.pdbqt | data/5E/5EJA-TD6/5EJA-TD6_target.pdbqt | data/5E/5EJA-TD6/5EJA-TD6_decoys.pdbqt | data/5E/5EJA-TD6/5EJA-TD6_decoy_scores.csv |
5EWK-P34 | data/5E/5EWK-P34/5EWK-P34_ligand.pdbqt | data/5E/5EWK-P34/5EWK-P34_target.pdbqt | data/5E/5EWK-P34/5EWK-P34_decoys.pdbqt | data/5E/5EWK-P34/5EWK-P34_decoy_scores.csv |
5ENE-5Q8 | data/5E/5ENE-5Q8/5ENE-5Q8_ligand.pdbqt | data/5E/5ENE-5Q8/5ENE-5Q8_target.pdbqt | data/5E/5ENE-5Q8/5ENE-5Q8_decoys.pdbqt | data/5E/5ENE-5Q8/5ENE-5Q8_decoy_scores.csv |
5E73-UO1 | data/5E/5E73-UO1/5E73-UO1_ligand.pdbqt | data/5E/5E73-UO1/5E73-UO1_target.pdbqt | data/5E/5E73-UO1/5E73-UO1_decoys.pdbqt | data/5E/5E73-UO1/5E73-UO1_decoy_scores.csv |
5EHI-5O3 | data/5E/5EHI-5O3/5EHI-5O3_ligand.pdbqt | data/5E/5EHI-5O3/5EHI-5O3_target.pdbqt | data/5E/5EHI-5O3/5EHI-5O3_decoys.pdbqt | data/5E/5EHI-5O3/5EHI-5O3_decoy_scores.csv |
5ETQ-APC | data/5E/5ETQ-APC/5ETQ-APC_ligand.pdbqt | data/5E/5ETQ-APC/5ETQ-APC_target.pdbqt | data/5E/5ETQ-APC/5ETQ-APC_decoys.pdbqt | data/5E/5ETQ-APC/5ETQ-APC_decoy_scores.csv |
5EKK-THP | data/5E/5EKK-THP/5EKK-THP_ligand.pdbqt | data/5E/5EKK-THP/5EKK-THP_target.pdbqt | data/5E/5EKK-THP/5EKK-THP_decoys.pdbqt | data/5E/5EKK-THP/5EKK-THP_decoy_scores.csv |
5EQF-UDP | data/5E/5EQF-UDP/5EQF-UDP_ligand.pdbqt | data/5E/5EQF-UDP/5EQF-UDP_target.pdbqt | data/5E/5EQF-UDP/5EQF-UDP_decoys.pdbqt | data/5E/5EQF-UDP/5EQF-UDP_decoy_scores.csv |
5ESF-TPF | data/5E/5ESF-TPF/5ESF-TPF_ligand.pdbqt | data/5E/5ESF-TPF/5ESF-TPF_target.pdbqt | data/5E/5ESF-TPF/5ESF-TPF_decoys.pdbqt | data/5E/5ESF-TPF/5ESF-TPF_decoy_scores.csv |
5EJL-C2E | data/5E/5EJL-C2E/5EJL-C2E_ligand.pdbqt | data/5E/5EJL-C2E/5EJL-C2E_target.pdbqt | data/5E/5EJL-C2E/5EJL-C2E_decoys.pdbqt | data/5E/5EJL-C2E/5EJL-C2E_decoy_scores.csv |
5EAD-5L9 | data/5E/5EAD-5L9/5EAD-5L9_ligand.pdbqt | data/5E/5EAD-5L9/5EAD-5L9_target.pdbqt | data/5E/5EAD-5L9/5EAD-5L9_decoys.pdbqt | data/5E/5EAD-5L9/5EAD-5L9_decoy_scores.csv |
5EXW-7DT | data/5E/5EXW-7DT/5EXW-7DT_ligand.pdbqt | data/5E/5EXW-7DT/5EXW-7DT_target.pdbqt | data/5E/5EXW-7DT/5EXW-7DT_decoys.pdbqt | data/5E/5EXW-7DT/5EXW-7DT_decoy_scores.csv |
5EBM-F09 | data/5E/5EBM-F09/5EBM-F09_ligand.pdbqt | data/5E/5EBM-F09/5EBM-F09_target.pdbqt | data/5E/5EBM-F09/5EBM-F09_decoys.pdbqt | data/5E/5EBM-F09/5EBM-F09_decoy_scores.csv |
5E3K-5JV | data/5E/5E3K-5JV/5E3K-5JV_ligand.pdbqt | data/5E/5E3K-5JV/5E3K-5JV_target.pdbqt | data/5E/5E3K-5JV/5E3K-5JV_decoys.pdbqt | data/5E/5E3K-5JV/5E3K-5JV_decoy_scores.csv |
5ESE-TPF | data/5E/5ESE-TPF/5ESE-TPF_ligand.pdbqt | data/5E/5ESE-TPF/5ESE-TPF_target.pdbqt | data/5E/5ESE-TPF/5ESE-TPF_decoys.pdbqt | data/5E/5ESE-TPF/5ESE-TPF_decoy_scores.csv |
5ECH-ATP | data/5E/5ECH-ATP/5ECH-ATP_ligand.pdbqt | data/5E/5ECH-ATP/5ECH-ATP_target.pdbqt | data/5E/5ECH-ATP/5ECH-ATP_decoys.pdbqt | data/5E/5ECH-ATP/5ECH-ATP_decoy_scores.csv |
5EML-SAM | data/5E/5EML-SAM/5EML-SAM_ligand.pdbqt | data/5E/5EML-SAM/5EML-SAM_target.pdbqt | data/5E/5EML-SAM/5EML-SAM_decoys.pdbqt | data/5E/5EML-SAM/5EML-SAM_decoy_scores.csv |
5EDD-DUP | data/5E/5EDD-DUP/5EDD-DUP_ligand.pdbqt | data/5E/5EDD-DUP/5EDD-DUP_target.pdbqt | data/5E/5EDD-DUP/5EDD-DUP_decoys.pdbqt | data/5E/5EDD-DUP/5EDD-DUP_decoy_scores.csv |
5EU9-5TX | data/5E/5EU9-5TX/5EU9-5TX_ligand.pdbqt | data/5E/5EU9-5TX/5EU9-5TX_target.pdbqt | data/5E/5EU9-5TX/5EU9-5TX_decoys.pdbqt | data/5E/5EU9-5TX/5EU9-5TX_decoy_scores.csv |
5EIK-DMU | data/5E/5EIK-DMU/5EIK-DMU_ligand.pdbqt | data/5E/5EIK-DMU/5EIK-DMU_target.pdbqt | data/5E/5EIK-DMU/5EIK-DMU_decoys.pdbqt | data/5E/5EIK-DMU/5EIK-DMU_decoy_scores.csv |
5ELZ-ADP | data/5E/5ELZ-ADP/5ELZ-ADP_ligand.pdbqt | data/5E/5ELZ-ADP/5ELZ-ADP_target.pdbqt | data/5E/5ELZ-ADP/5ELZ-ADP_decoys.pdbqt | data/5E/5ELZ-ADP/5ELZ-ADP_decoy_scores.csv |
5EN3-7LU | data/5E/5EN3-7LU/5EN3-7LU_ligand.pdbqt | data/5E/5EN3-7LU/5EN3-7LU_target.pdbqt | data/5E/5EN3-7LU/5EN3-7LU_decoys.pdbqt | data/5E/5EN3-7LU/5EN3-7LU_decoy_scores.csv |
5E5I-5JV | data/5E/5E5I-5JV/5E5I-5JV_ligand.pdbqt | data/5E/5E5I-5JV/5E5I-5JV_target.pdbqt | data/5E/5E5I-5JV/5E5I-5JV_decoys.pdbqt | data/5E/5E5I-5JV/5E5I-5JV_decoy_scores.csv |
5EYN-FRU | data/5E/5EYN-FRU/5EYN-FRU_ligand.pdbqt | data/5E/5EYN-FRU/5EYN-FRU_target.pdbqt | null | null |
5E9Q-5KY | data/5E/5E9Q-5KY/5E9Q-5KY_ligand.pdbqt | data/5E/5E9Q-5KY/5E9Q-5KY_target.pdbqt | data/5E/5E9Q-5KY/5E9Q-5KY_decoys.pdbqt | data/5E/5E9Q-5KY/5E9Q-5KY_decoy_scores.csv |
5E9O-I3C | data/5E/5E9O-I3C/5E9O-I3C_ligand.pdbqt | data/5E/5E9O-I3C/5E9O-I3C_target.pdbqt | data/5E/5E9O-I3C/5E9O-I3C_decoys.pdbqt | data/5E/5E9O-I3C/5E9O-I3C_decoy_scores.csv |
5ET6-AMP | data/5E/5ET6-AMP/5ET6-AMP_ligand.pdbqt | data/5E/5ET6-AMP/5ET6-AMP_target.pdbqt | data/5E/5ET6-AMP/5ET6-AMP_decoys.pdbqt | data/5E/5ET6-AMP/5ET6-AMP_decoy_scores.csv |
5EML-5QK | data/5E/5EML-5QK/5EML-5QK_ligand.pdbqt | data/5E/5EML-5QK/5EML-5QK_target.pdbqt | data/5E/5EML-5QK/5EML-5QK_decoys.pdbqt | data/5E/5EML-5QK/5EML-5QK_decoy_scores.csv |
5EDG-5MG | data/5E/5EDG-5MG/5EDG-5MG_ligand.pdbqt | data/5E/5EDG-5MG/5EDG-5MG_target.pdbqt | data/5E/5EDG-5MG/5EDG-5MG_decoys.pdbqt | data/5E/5EDG-5MG/5EDG-5MG_decoy_scores.csv |
5EFC-GTP | data/5E/5EFC-GTP/5EFC-GTP_ligand.pdbqt | data/5E/5EFC-GTP/5EFC-GTP_target.pdbqt | data/5E/5EFC-GTP/5EFC-GTP_decoys.pdbqt | data/5E/5EFC-GTP/5EFC-GTP_decoy_scores.csv |
5EC2-DGA | data/5E/5EC2-DGA/5EC2-DGA_ligand.pdbqt | data/5E/5EC2-DGA/5EC2-DGA_target.pdbqt | data/5E/5EC2-DGA/5EC2-DGA_decoys.pdbqt | data/5E/5EC2-DGA/5EC2-DGA_decoy_scores.csv |
5EJ2-NAD | data/5E/5EJ2-NAD/5EJ2-NAD_ligand.pdbqt | data/5E/5EJ2-NAD/5EJ2-NAD_target.pdbqt | data/5E/5EJ2-NAD/5EJ2-NAD_decoys.pdbqt | data/5E/5EJ2-NAD/5EJ2-NAD_decoy_scores.csv |
5EE7-PE5 | data/5E/5EE7-PE5/5EE7-PE5_ligand.pdbqt | data/5E/5EE7-PE5/5EE7-PE5_target.pdbqt | data/5E/5EE7-PE5/5EE7-PE5_decoys.pdbqt | data/5E/5EE7-PE5/5EE7-PE5_decoy_scores.csv |
5EX3-SAH | data/5E/5EX3-SAH/5EX3-SAH_ligand.pdbqt | data/5E/5EX3-SAH/5EX3-SAH_target.pdbqt | data/5E/5EX3-SAH/5EX3-SAH_decoys.pdbqt | data/5E/5EX3-SAH/5EX3-SAH_decoy_scores.csv |
5EOX-ADP | data/5E/5EOX-ADP/5EOX-ADP_ligand.pdbqt | data/5E/5EOX-ADP/5EOX-ADP_target.pdbqt | data/5E/5EOX-ADP/5EOX-ADP_decoys.pdbqt | data/5E/5EOX-ADP/5EOX-ADP_decoy_scores.csv |
5EXD-O2T | data/5E/5EXD-O2T/5EXD-O2T_ligand.pdbqt | data/5E/5EXD-O2T/5EXD-O2T_target.pdbqt | data/5E/5EXD-O2T/5EXD-O2T_decoys.pdbqt | data/5E/5EXD-O2T/5EXD-O2T_decoy_scores.csv |
5EN4-5Q6 | data/5E/5EN4-5Q6/5EN4-5Q6_ligand.pdbqt | data/5E/5EN4-5Q6/5EN4-5Q6_target.pdbqt | data/5E/5EN4-5Q6/5EN4-5Q6_decoys.pdbqt | data/5E/5EN4-5Q6/5EN4-5Q6_decoy_scores.csv |
5EDL-MPG | data/5E/5EDL-MPG/5EDL-MPG_ligand.pdbqt | data/5E/5EDL-MPG/5EDL-MPG_target.pdbqt | data/5E/5EDL-MPG/5EDL-MPG_decoys.pdbqt | data/5E/5EDL-MPG/5EDL-MPG_decoy_scores.csv |
5EY5-G3P | data/5E/5EY5-G3P/5EY5-G3P_ligand.pdbqt | data/5E/5EY5-G3P/5EY5-G3P_target.pdbqt | data/5E/5EY5-G3P/5EY5-G3P_decoys.pdbqt | data/5E/5EY5-G3P/5EY5-G3P_decoy_scores.csv |
5ELM-GLU | data/5E/5ELM-GLU/5ELM-GLU_ligand.pdbqt | data/5E/5ELM-GLU/5ELM-GLU_target.pdbqt | data/5E/5ELM-GLU/5ELM-GLU_decoys.pdbqt | data/5E/5ELM-GLU/5ELM-GLU_decoy_scores.csv |
5ENF-5Q7 | data/5E/5ENF-5Q7/5ENF-5Q7_ligand.pdbqt | data/5E/5ENF-5Q7/5ENF-5Q7_target.pdbqt | data/5E/5ENF-5Q7/5ENF-5Q7_decoys.pdbqt | data/5E/5ENF-5Q7/5ENF-5Q7_decoy_scores.csv |
5EKS-NAD | data/5E/5EKS-NAD/5EKS-NAD_ligand.pdbqt | data/5E/5EKS-NAD/5EKS-NAD_target.pdbqt | data/5E/5EKS-NAD/5EKS-NAD_decoys.pdbqt | data/5E/5EKS-NAD/5EKS-NAD_decoy_scores.csv |
5EKH-5RD | data/5E/5EKH-5RD/5EKH-5RD_ligand.pdbqt | data/5E/5EKH-5RD/5EKH-5RD_target.pdbqt | data/5E/5EKH-5RD/5EKH-5RD_decoys.pdbqt | data/5E/5EKH-5RD/5EKH-5RD_decoy_scores.csv |
5EIC-5J5 | data/5E/5EIC-5J5/5EIC-5J5_ligand.pdbqt | data/5E/5EIC-5J5/5EIC-5J5_target.pdbqt | data/5E/5EIC-5J5/5EIC-5J5_decoys.pdbqt | data/5E/5EIC-5J5/5EIC-5J5_decoy_scores.csv |
5EXY-ATP | data/5E/5EXY-ATP/5EXY-ATP_ligand.pdbqt | data/5E/5EXY-ATP/5EXY-ATP_target.pdbqt | data/5E/5EXY-ATP/5EXY-ATP_decoys.pdbqt | data/5E/5EXY-ATP/5EXY-ATP_decoy_scores.csv |
5ETM-APC | data/5E/5ETM-APC/5ETM-APC_ligand.pdbqt | data/5E/5ETM-APC/5ETM-APC_target.pdbqt | data/5E/5ETM-APC/5ETM-APC_decoys.pdbqt | data/5E/5ETM-APC/5ETM-APC_decoy_scores.csv |
5EI8-5OE | data/5E/5EI8-5OE/5EI8-5OE_ligand.pdbqt | data/5E/5EI8-5OE/5EI8-5OE_target.pdbqt | data/5E/5EI8-5OE/5EI8-5OE_decoys.pdbqt | data/5E/5EI8-5OE/5EI8-5OE_decoy_scores.csv |
5EJ4-TD6 | data/5E/5EJ4-TD6/5EJ4-TD6_ligand.pdbqt | data/5E/5EJ4-TD6/5EJ4-TD6_target.pdbqt | data/5E/5EJ4-TD6/5EJ4-TD6_decoys.pdbqt | data/5E/5EJ4-TD6/5EJ4-TD6_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.