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 ⌀ |
|---|---|---|---|---|
4KIC-SAM | data/4K/4KIC-SAM/4KIC-SAM_ligand.pdbqt | data/4K/4KIC-SAM/4KIC-SAM_target.pdbqt | data/4K/4KIC-SAM/4KIC-SAM_decoys.pdbqt | data/4K/4KIC-SAM/4KIC-SAM_decoy_scores.csv |
4KIF-HF2 | data/4K/4KIF-HF2/4KIF-HF2_ligand.pdbqt | data/4K/4KIF-HF2/4KIF-HF2_target.pdbqt | data/4K/4KIF-HF2/4KIF-HF2_decoys.pdbqt | data/4K/4KIF-HF2/4KIF-HF2_decoy_scores.csv |
4KCR-5H3 | data/4K/4KCR-5H3/4KCR-5H3_ligand.pdbqt | data/4K/4KCR-5H3/4KCR-5H3_target.pdbqt | null | null |
4K5M-1OV | data/4K/4K5M-1OV/4K5M-1OV_ligand.pdbqt | data/4K/4K5M-1OV/4K5M-1OV_target.pdbqt | data/4K/4K5M-1OV/4K5M-1OV_decoys.pdbqt | data/4K/4K5M-1OV/4K5M-1OV_decoy_scores.csv |
4KFJ-FOL | data/4K/4KFJ-FOL/4KFJ-FOL_ligand.pdbqt | data/4K/4KFJ-FOL/4KFJ-FOL_target.pdbqt | data/4K/4KFJ-FOL/4KFJ-FOL_decoys.pdbqt | data/4K/4KFJ-FOL/4KFJ-FOL_decoy_scores.csv |
4K7R-3PK | data/4K/4K7R-3PK/4K7R-3PK_ligand.pdbqt | data/4K/4K7R-3PK/4K7R-3PK_target.pdbqt | data/4K/4K7R-3PK/4K7R-3PK_decoys.pdbqt | data/4K/4K7R-3PK/4K7R-3PK_decoy_scores.csv |
4K6D-THP | data/4K/4K6D-THP/4K6D-THP_ligand.pdbqt | data/4K/4K6D-THP/4K6D-THP_target.pdbqt | data/4K/4K6D-THP/4K6D-THP_decoys.pdbqt | data/4K/4K6D-THP/4K6D-THP_decoy_scores.csv |
4K60-1P8 | data/4K/4K60-1P8/4K60-1P8_ligand.pdbqt | data/4K/4K60-1P8/4K60-1P8_target.pdbqt | data/4K/4K60-1P8/4K60-1P8_decoys.pdbqt | data/4K/4K60-1P8/4K60-1P8_decoy_scores.csv |
4KU4-GDP | data/4K/4KU4-GDP/4KU4-GDP_ligand.pdbqt | data/4K/4KU4-GDP/4KU4-GDP_target.pdbqt | data/4K/4KU4-GDP/4KU4-GDP_decoys.pdbqt | data/4K/4KU4-GDP/4KU4-GDP_decoy_scores.csv |
4KLX-ETE | data/4K/4KLX-ETE/4KLX-ETE_ligand.pdbqt | data/4K/4KLX-ETE/4KLX-ETE_target.pdbqt | data/4K/4KLX-ETE/4KLX-ETE_decoys.pdbqt | data/4K/4KLX-ETE/4KLX-ETE_decoy_scores.csv |
4K55-H6P | data/4K/4K55-H6P/4K55-H6P_ligand.pdbqt | data/4K/4K55-H6P/4K55-H6P_target.pdbqt | data/4K/4K55-H6P/4K55-H6P_decoys.pdbqt | data/4K/4K55-H6P/4K55-H6P_decoy_scores.csv |
4KFP-1R7 | data/4K/4KFP-1R7/4KFP-1R7_ligand.pdbqt | data/4K/4KFP-1R7/4KFP-1R7_target.pdbqt | data/4K/4KFP-1R7/4KFP-1R7_decoys.pdbqt | data/4K/4KFP-1R7/4KFP-1R7_decoy_scores.csv |
4K93-1Q8 | data/4K/4K93-1Q8/4K93-1Q8_ligand.pdbqt | data/4K/4K93-1Q8/4K93-1Q8_target.pdbqt | data/4K/4K93-1Q8/4K93-1Q8_decoys.pdbqt | data/4K/4K93-1Q8/4K93-1Q8_decoy_scores.csv |
4K9G-1Q2 | data/4K/4K9G-1Q2/4K9G-1Q2_ligand.pdbqt | data/4K/4K9G-1Q2/4K9G-1Q2_target.pdbqt | data/4K/4K9G-1Q2/4K9G-1Q2_decoys.pdbqt | data/4K/4K9G-1Q2/4K9G-1Q2_decoy_scores.csv |
4KJJ-FOL | data/4K/4KJJ-FOL/4KJJ-FOL_ligand.pdbqt | data/4K/4KJJ-FOL/4KJJ-FOL_target.pdbqt | data/4K/4KJJ-FOL/4KJJ-FOL_decoys.pdbqt | data/4K/4KJJ-FOL/4KJJ-FOL_decoy_scores.csv |
4KU0-PLM | data/4K/4KU0-PLM/4KU0-PLM_ligand.pdbqt | data/4K/4KU0-PLM/4KU0-PLM_target.pdbqt | data/4K/4KU0-PLM/4KU0-PLM_decoys.pdbqt | data/4K/4KU0-PLM/4KU0-PLM_decoy_scores.csv |
4KS1-2H8 | data/4K/4KS1-2H8/4KS1-2H8_ligand.pdbqt | data/4K/4KS1-2H8/4KS1-2H8_target.pdbqt | data/4K/4KS1-2H8/4KS1-2H8_decoys.pdbqt | data/4K/4KS1-2H8/4KS1-2H8_decoy_scores.csv |
4KSG-920 | data/4K/4KSG-920/4KSG-920_ligand.pdbqt | data/4K/4KSG-920/4KSG-920_target.pdbqt | data/4K/4KSG-920/4KSG-920_decoys.pdbqt | data/4K/4KSG-920/4KSG-920_decoy_scores.csv |
4KIO-G6K | data/4K/4KIO-G6K/4KIO-G6K_ligand.pdbqt | data/4K/4KIO-G6K/4KIO-G6K_target.pdbqt | data/4K/4KIO-G6K/4KIO-G6K_decoys.pdbqt | data/4K/4KIO-G6K/4KIO-G6K_decoy_scores.csv |
4KQU-AHD | data/4K/4KQU-AHD/4KQU-AHD_ligand.pdbqt | data/4K/4KQU-AHD/4KQU-AHD_target.pdbqt | data/4K/4KQU-AHD/4KQU-AHD_decoys.pdbqt | data/4K/4KQU-AHD/4KQU-AHD_decoy_scores.csv |
4KTJ-KTJ | data/4K/4KTJ-KTJ/4KTJ-KTJ_ligand.pdbqt | data/4K/4KTJ-KTJ/4KTJ-KTJ_target.pdbqt | data/4K/4KTJ-KTJ/4KTJ-KTJ_decoys.pdbqt | data/4K/4KTJ-KTJ/4KTJ-KTJ_decoy_scores.csv |
4K41-ATP | data/4K/4K41-ATP/4K41-ATP_ligand.pdbqt | data/4K/4K41-ATP/4K41-ATP_target.pdbqt | data/4K/4K41-ATP/4K41-ATP_decoys.pdbqt | data/4K/4K41-ATP/4K41-ATP_decoy_scores.csv |
4K7O-EKZ | data/4K/4K7O-EKZ/4K7O-EKZ_ligand.pdbqt | data/4K/4K7O-EKZ/4K7O-EKZ_target.pdbqt | data/4K/4K7O-EKZ/4K7O-EKZ_decoys.pdbqt | data/4K/4K7O-EKZ/4K7O-EKZ_decoy_scores.csv |
4K2M-O1G | data/4K/4K2M-O1G/4K2M-O1G_ligand.pdbqt | data/4K/4K2M-O1G/4K2M-O1G_target.pdbqt | data/4K/4K2M-O1G/4K2M-O1G_decoys.pdbqt | data/4K/4K2M-O1G/4K2M-O1G_decoy_scores.csv |
4KRV-NGS | data/4K/4KRV-NGS/4KRV-NGS_ligand.pdbqt | data/4K/4KRV-NGS/4KRV-NGS_target.pdbqt | data/4K/4KRV-NGS/4KRV-NGS_decoys.pdbqt | data/4K/4KRV-NGS/4KRV-NGS_decoy_scores.csv |
4KR5-P33 | data/4K/4KR5-P33/4KR5-P33_ligand.pdbqt | data/4K/4KR5-P33/4KR5-P33_target.pdbqt | data/4K/4KR5-P33/4KR5-P33_decoys.pdbqt | data/4K/4KR5-P33/4KR5-P33_decoy_scores.csv |
4K7V-07V | data/4K/4K7V-07V/4K7V-07V_ligand.pdbqt | data/4K/4K7V-07V/4K7V-07V_target.pdbqt | data/4K/4K7V-07V/4K7V-07V_decoys.pdbqt | data/4K/4K7V-07V/4K7V-07V_decoy_scores.csv |
4KCR-H4B | data/4K/4KCR-H4B/4KCR-H4B_ligand.pdbqt | data/4K/4KCR-H4B/4KCR-H4B_target.pdbqt | null | null |
4KJO-THP | data/4K/4KJO-THP/4KJO-THP_ligand.pdbqt | data/4K/4KJO-THP/4KJO-THP_target.pdbqt | data/4K/4KJO-THP/4KJO-THP_decoys.pdbqt | data/4K/4KJO-THP/4KJO-THP_decoy_scores.csv |
4KWG-2AK | data/4K/4KWG-2AK/4KWG-2AK_ligand.pdbqt | data/4K/4KWG-2AK/4KWG-2AK_target.pdbqt | data/4K/4KWG-2AK/4KWG-2AK_decoys.pdbqt | data/4K/4KWG-2AK/4KWG-2AK_decoy_scores.csv |
4KO0-JLJ | data/4K/4KO0-JLJ/4KO0-JLJ_ligand.pdbqt | data/4K/4KO0-JLJ/4KO0-JLJ_target.pdbqt | data/4K/4KO0-JLJ/4KO0-JLJ_decoys.pdbqt | data/4K/4KO0-JLJ/4KO0-JLJ_decoy_scores.csv |
4KXQ-APR | data/4K/4KXQ-APR/4KXQ-APR_ligand.pdbqt | data/4K/4KXQ-APR/4KXQ-APR_target.pdbqt | data/4K/4KXQ-APR/4KXQ-APR_decoys.pdbqt | data/4K/4KXQ-APR/4KXQ-APR_decoy_scores.csv |
4KD1-1QK | data/4K/4KD1-1QK/4KD1-1QK_ligand.pdbqt | data/4K/4KD1-1QK/4KD1-1QK_target.pdbqt | data/4K/4KD1-1QK/4KD1-1QK_decoys.pdbqt | data/4K/4KD1-1QK/4KD1-1QK_decoy_scores.csv |
4KFB-T27 | data/4K/4KFB-T27/4KFB-T27_ligand.pdbqt | data/4K/4KFB-T27/4KFB-T27_target.pdbqt | data/4K/4KFB-T27/4KFB-T27_decoys.pdbqt | data/4K/4KFB-T27/4KFB-T27_decoy_scores.csv |
4KOW-CFX | data/4K/4KOW-CFX/4KOW-CFX_ligand.pdbqt | data/4K/4KOW-CFX/4KOW-CFX_target.pdbqt | data/4K/4KOW-CFX/4KOW-CFX_decoys.pdbqt | data/4K/4KOW-CFX/4KOW-CFX_decoy_scores.csv |
4KBC-1QJ | data/4K/4KBC-1QJ/4KBC-1QJ_ligand.pdbqt | data/4K/4KBC-1QJ/4KBC-1QJ_target.pdbqt | data/4K/4KBC-1QJ/4KBC-1QJ_decoys.pdbqt | data/4K/4KBC-1QJ/4KBC-1QJ_decoy_scores.csv |
4KE8-1QY | data/4K/4KE8-1QY/4KE8-1QY_ligand.pdbqt | data/4K/4KE8-1QY/4KE8-1QY_target.pdbqt | data/4K/4KE8-1QY/4KE8-1QY_decoys.pdbqt | data/4K/4KE8-1QY/4KE8-1QY_decoy_scores.csv |
4K5N-1OU | data/4K/4K5N-1OU/4K5N-1OU_ligand.pdbqt | data/4K/4K5N-1OU/4K5N-1OU_target.pdbqt | data/4K/4K5N-1OU/4K5N-1OU_decoys.pdbqt | data/4K/4K5N-1OU/4K5N-1OU_decoy_scores.csv |
4KAH-ADN | data/4K/4KAH-ADN/4KAH-ADN_ligand.pdbqt | data/4K/4KAH-ADN/4KAH-ADN_target.pdbqt | data/4K/4KAH-ADN/4KAH-ADN_decoys.pdbqt | data/4K/4KAH-ADN/4KAH-ADN_decoy_scores.csv |
4KAV-DDQ | data/4K/4KAV-DDQ/4KAV-DDQ_ligand.pdbqt | data/4K/4KAV-DDQ/4KAV-DDQ_target.pdbqt | data/4K/4KAV-DDQ/4KAV-DDQ_decoys.pdbqt | data/4K/4KAV-DDQ/4KAV-DDQ_decoy_scores.csv |
4K6R-GN1 | data/4K/4K6R-GN1/4K6R-GN1_ligand.pdbqt | data/4K/4K6R-GN1/4K6R-GN1_target.pdbqt | data/4K/4K6R-GN1/4K6R-GN1_decoys.pdbqt | data/4K/4K6R-GN1/4K6R-GN1_decoy_scores.csv |
4K9D-NAD | data/4K/4K9D-NAD/4K9D-NAD_ligand.pdbqt | data/4K/4K9D-NAD/4K9D-NAD_target.pdbqt | data/4K/4K9D-NAD/4K9D-NAD_decoys.pdbqt | data/4K/4K9D-NAD/4K9D-NAD_decoy_scores.csv |
4K6W-1P0 | data/4K/4K6W-1P0/4K6W-1P0_ligand.pdbqt | data/4K/4K6W-1P0/4K6W-1P0_target.pdbqt | data/4K/4K6W-1P0/4K6W-1P0_decoys.pdbqt | data/4K/4K6W-1P0/4K6W-1P0_decoy_scores.csv |
4KNR-1S8 | data/4K/4KNR-1S8/4KNR-1S8_ligand.pdbqt | data/4K/4KNR-1S8/4KNR-1S8_target.pdbqt | data/4K/4KNR-1S8/4KNR-1S8_decoys.pdbqt | data/4K/4KNR-1S8/4KNR-1S8_decoy_scores.csv |
4K9C-ADN | data/4K/4K9C-ADN/4K9C-ADN_ligand.pdbqt | data/4K/4K9C-ADN/4K9C-ADN_target.pdbqt | data/4K/4K9C-ADN/4K9C-ADN_decoys.pdbqt | data/4K/4K9C-ADN/4K9C-ADN_decoy_scores.csv |
4K0A-FLC | data/4K/4K0A-FLC/4K0A-FLC_ligand.pdbqt | data/4K/4K0A-FLC/4K0A-FLC_target.pdbqt | data/4K/4K0A-FLC/4K0A-FLC_decoys.pdbqt | data/4K/4K0A-FLC/4K0A-FLC_decoy_scores.csv |
4KRG-SAH | data/4K/4KRG-SAH/4KRG-SAH_ligand.pdbqt | data/4K/4KRG-SAH/4KRG-SAH_target.pdbqt | data/4K/4KRG-SAH/4KRG-SAH_decoys.pdbqt | data/4K/4KRG-SAH/4KRG-SAH_decoy_scores.csv |
4KOS-4KO | data/4K/4KOS-4KO/4KOS-4KO_ligand.pdbqt | data/4K/4KOS-4KO/4KOS-4KO_target.pdbqt | data/4K/4KOS-4KO/4KOS-4KO_decoys.pdbqt | data/4K/4KOS-4KO/4KOS-4KO_decoy_scores.csv |
4KBF-AMP | data/4K/4KBF-AMP/4KBF-AMP_ligand.pdbqt | data/4K/4KBF-AMP/4KBF-AMP_target.pdbqt | data/4K/4KBF-AMP/4KBF-AMP_decoys.pdbqt | data/4K/4KBF-AMP/4KBF-AMP_decoy_scores.csv |
4KIG-ENO | data/4K/4KIG-ENO/4KIG-ENO_ligand.pdbqt | data/4K/4KIG-ENO/4KIG-ENO_target.pdbqt | data/4K/4KIG-ENO/4KIG-ENO_decoys.pdbqt | data/4K/4KIG-ENO/4KIG-ENO_decoy_scores.csv |
4KE7-1QX | data/4K/4KE7-1QX/4KE7-1QX_ligand.pdbqt | data/4K/4KE7-1QX/4KE7-1QX_target.pdbqt | data/4K/4KE7-1QX/4KE7-1QX_decoys.pdbqt | data/4K/4KE7-1QX/4KE7-1QX_decoy_scores.csv |
4K18-1OB | data/4K/4K18-1OB/4K18-1OB_ligand.pdbqt | data/4K/4K18-1OB/4K18-1OB_target.pdbqt | data/4K/4K18-1OB/4K18-1OB_decoys.pdbqt | data/4K/4K18-1OB/4K18-1OB_decoy_scores.csv |
4KH1-CTP | data/4K/4KH1-CTP/4KH1-CTP_ligand.pdbqt | data/4K/4KH1-CTP/4KH1-CTP_target.pdbqt | data/4K/4KH1-CTP/4KH1-CTP_decoys.pdbqt | data/4K/4KH1-CTP/4KH1-CTP_decoy_scores.csv |
4KQX-NAD | data/4K/4KQX-NAD/4KQX-NAD_ligand.pdbqt | data/4K/4KQX-NAD/4KQX-NAD_target.pdbqt | data/4K/4KQX-NAD/4KQX-NAD_decoys.pdbqt | data/4K/4KQX-NAD/4KQX-NAD_decoy_scores.csv |
4KVZ-SAH | data/4K/4KVZ-SAH/4KVZ-SAH_ligand.pdbqt | data/4K/4KVZ-SAH/4KVZ-SAH_target.pdbqt | data/4K/4KVZ-SAH/4KVZ-SAH_decoys.pdbqt | data/4K/4KVZ-SAH/4KVZ-SAH_decoy_scores.csv |
4KTA-THP | data/4K/4KTA-THP/4KTA-THP_ligand.pdbqt | data/4K/4KTA-THP/4KTA-THP_target.pdbqt | data/4K/4KTA-THP/4KTA-THP_decoys.pdbqt | data/4K/4KTA-THP/4KTA-THP_decoy_scores.csv |
4KB8-1QO | data/4K/4KB8-1QO/4KB8-1QO_ligand.pdbqt | data/4K/4KB8-1QO/4KB8-1QO_target.pdbqt | data/4K/4KB8-1QO/4KB8-1QO_decoys.pdbqt | data/4K/4KB8-1QO/4KB8-1QO_decoy_scores.csv |
4K5F-Q14 | data/4K/4K5F-Q14/4K5F-Q14_ligand.pdbqt | data/4K/4K5F-Q14/4K5F-Q14_target.pdbqt | data/4K/4K5F-Q14/4K5F-Q14_decoys.pdbqt | data/4K/4K5F-Q14/4K5F-Q14_decoy_scores.csv |
4KUO-RBF | data/4K/4KUO-RBF/4KUO-RBF_ligand.pdbqt | data/4K/4KUO-RBF/4KUO-RBF_target.pdbqt | data/4K/4KUO-RBF/4KUO-RBF_decoys.pdbqt | data/4K/4KUO-RBF/4KUO-RBF_decoy_scores.csv |
4K85-1PZ | data/4K/4K85-1PZ/4K85-1PZ_ligand.pdbqt | data/4K/4K85-1PZ/4K85-1PZ_target.pdbqt | data/4K/4K85-1PZ/4K85-1PZ_decoys.pdbqt | data/4K/4K85-1PZ/4K85-1PZ_decoy_scores.csv |
4K7T-GPP | data/4K/4K7T-GPP/4K7T-GPP_ligand.pdbqt | data/4K/4K7T-GPP/4K7T-GPP_target.pdbqt | data/4K/4K7T-GPP/4K7T-GPP_decoys.pdbqt | data/4K/4K7T-GPP/4K7T-GPP_decoy_scores.csv |
4KEY-1C6 | data/4K/4KEY-1C6/4KEY-1C6_ligand.pdbqt | data/4K/4KEY-1C6/4KEY-1C6_target.pdbqt | data/4K/4KEY-1C6/4KEY-1C6_decoys.pdbqt | data/4K/4KEY-1C6/4KEY-1C6_decoy_scores.csv |
4KNM-E1E | data/4K/4KNM-E1E/4KNM-E1E_ligand.pdbqt | data/4K/4KNM-E1E/4KNM-E1E_target.pdbqt | data/4K/4KNM-E1E/4KNM-E1E_decoys.pdbqt | data/4K/4KNM-E1E/4KNM-E1E_decoy_scores.csv |
4KQV-DOO | data/4K/4KQV-DOO/4KQV-DOO_ligand.pdbqt | data/4K/4KQV-DOO/4KQV-DOO_target.pdbqt | data/4K/4KQV-DOO/4KQV-DOO_decoys.pdbqt | data/4K/4KQV-DOO/4KQV-DOO_decoy_scores.csv |
4KAD-ADN | data/4K/4KAD-ADN/4KAD-ADN_ligand.pdbqt | data/4K/4KAD-ADN/4KAD-ADN_target.pdbqt | data/4K/4KAD-ADN/4KAD-ADN_decoys.pdbqt | data/4K/4KAD-ADN/4KAD-ADN_decoy_scores.csv |
4KZ7-1U5 | data/4K/4KZ7-1U5/4KZ7-1U5_ligand.pdbqt | data/4K/4KZ7-1U5/4KZ7-1U5_target.pdbqt | data/4K/4KZ7-1U5/4KZ7-1U5_decoys.pdbqt | data/4K/4KZ7-1U5/4KZ7-1U5_decoy_scores.csv |
4K5K-H4B | data/4K/4K5K-H4B/4K5K-H4B_ligand.pdbqt | data/4K/4K5K-H4B/4K5K-H4B_target.pdbqt | null | null |
4KPL-CS2 | data/4K/4KPL-CS2/4KPL-CS2_ligand.pdbqt | data/4K/4KPL-CS2/4KPL-CS2_target.pdbqt | data/4K/4KPL-CS2/4KPL-CS2_decoys.pdbqt | data/4K/4KPL-CS2/4KPL-CS2_decoy_scores.csv |
4KY5-THP | data/4K/4KY5-THP/4KY5-THP_ligand.pdbqt | data/4K/4KY5-THP/4KY5-THP_target.pdbqt | data/4K/4KY5-THP/4KY5-THP_decoys.pdbqt | data/4K/4KY5-THP/4KY5-THP_decoy_scores.csv |
4KWD-JF2 | data/4K/4KWD-JF2/4KWD-JF2_ligand.pdbqt | data/4K/4KWD-JF2/4KWD-JF2_target.pdbqt | data/4K/4KWD-JF2/4KWD-JF2_decoys.pdbqt | data/4K/4KWD-JF2/4KWD-JF2_decoy_scores.csv |
4KOR-4KR | data/4K/4KOR-4KR/4KOR-4KR_ligand.pdbqt | data/4K/4KOR-4KR/4KOR-4KR_target.pdbqt | data/4K/4KOR-4KR/4KOR-4KR_decoys.pdbqt | data/4K/4KOR-4KR/4KOR-4KR_decoy_scores.csv |
4KOP-MPO | data/4K/4KOP-MPO/4KOP-MPO_ligand.pdbqt | data/4K/4KOP-MPO/4KOP-MPO_target.pdbqt | data/4K/4KOP-MPO/4KOP-MPO_decoys.pdbqt | data/4K/4KOP-MPO/4KOP-MPO_decoy_scores.csv |
4K5I-1Q7 | data/4K/4K5I-1Q7/4K5I-1Q7_ligand.pdbqt | data/4K/4K5I-1Q7/4K5I-1Q7_target.pdbqt | null | null |
4K3K-SFK | data/4K/4K3K-SFK/4K3K-SFK_ligand.pdbqt | data/4K/4K3K-SFK/4K3K-SFK_target.pdbqt | data/4K/4K3K-SFK/4K3K-SFK_decoys.pdbqt | data/4K/4K3K-SFK/4K3K-SFK_decoy_scores.csv |
4KFG-DOO | data/4K/4KFG-DOO/4KFG-DOO_ligand.pdbqt | data/4K/4KFG-DOO/4KFG-DOO_target.pdbqt | data/4K/4KFG-DOO/4KFG-DOO_decoys.pdbqt | data/4K/4KFG-DOO/4KFG-DOO_decoy_scores.csv |
4KCL-H4B | data/4K/4KCL-H4B/4KCL-H4B_ligand.pdbqt | data/4K/4KCL-H4B/4KCL-H4B_target.pdbqt | data/4K/4KCL-H4B/4KCL-H4B_decoys.pdbqt | data/4K/4KCL-H4B/4KCL-H4B_decoy_scores.csv |
4KT8-9AX | data/4K/4KT8-9AX/4KT8-9AX_ligand.pdbqt | data/4K/4KT8-9AX/4KT8-9AX_target.pdbqt | data/4K/4KT8-9AX/4KT8-9AX_decoys.pdbqt | data/4K/4KT8-9AX/4KT8-9AX_decoy_scores.csv |
4K5W-THP | data/4K/4K5W-THP/4K5W-THP_ligand.pdbqt | data/4K/4K5W-THP/4K5W-THP_target.pdbqt | data/4K/4K5W-THP/4K5W-THP_decoys.pdbqt | data/4K/4K5W-THP/4K5W-THP_decoy_scores.csv |
4KQX-HIO | data/4K/4KQX-HIO/4KQX-HIO_ligand.pdbqt | data/4K/4KQX-HIO/4KQX-HIO_target.pdbqt | data/4K/4KQX-HIO/4KQX-HIO_decoys.pdbqt | data/4K/4KQX-HIO/4KQX-HIO_decoy_scores.csv |
4KIB-SAH | data/4K/4KIB-SAH/4KIB-SAH_ligand.pdbqt | data/4K/4KIB-SAH/4KIB-SAH_target.pdbqt | data/4K/4KIB-SAH/4KIB-SAH_decoys.pdbqt | data/4K/4KIB-SAH/4KIB-SAH_decoy_scores.csv |
4KBE-ADN | data/4K/4KBE-ADN/4KBE-ADN_ligand.pdbqt | data/4K/4KBE-ADN/4KBE-ADN_target.pdbqt | data/4K/4KBE-ADN/4KBE-ADN_decoys.pdbqt | data/4K/4KBE-ADN/4KBE-ADN_decoy_scores.csv |
4KAJ-1Q9 | data/4K/4KAJ-1Q9/4KAJ-1Q9_ligand.pdbqt | data/4K/4KAJ-1Q9/4KAJ-1Q9_target.pdbqt | data/4K/4KAJ-1Q9/4KAJ-1Q9_decoys.pdbqt | data/4K/4KAJ-1Q9/4KAJ-1Q9_decoy_scores.csv |
4K80-1PW | data/4K/4K80-1PW/4K80-1PW_ligand.pdbqt | data/4K/4K80-1PW/4K80-1PW_target.pdbqt | data/4K/4K80-1PW/4K80-1PW_decoys.pdbqt | data/4K/4K80-1PW/4K80-1PW_decoy_scores.csv |
4KF1-HT5 | data/4K/4KF1-HT5/4KF1-HT5_ligand.pdbqt | data/4K/4KF1-HT5/4KF1-HT5_target.pdbqt | data/4K/4KF1-HT5/4KF1-HT5_decoys.pdbqt | data/4K/4KF1-HT5/4KF1-HT5_decoy_scores.csv |
4KZK-GAL | data/4K/4KZK-GAL/4KZK-GAL_ligand.pdbqt | data/4K/4KZK-GAL/4KZK-GAL_target.pdbqt | data/4K/4KZK-GAL/4KZK-GAL_decoys.pdbqt | data/4K/4KZK-GAL/4KZK-GAL_decoy_scores.csv |
4K4E-K4E | data/4K/4K4E-K4E/4K4E-K4E_ligand.pdbqt | data/4K/4K4E-K4E/4K4E-K4E_target.pdbqt | data/4K/4K4E-K4E/4K4E-K4E_decoys.pdbqt | data/4K/4K4E-K4E/4K4E-K4E_decoy_scores.csv |
4KC4-BHE | data/4K/4KC4-BHE/4KC4-BHE_ligand.pdbqt | data/4K/4KC4-BHE/4KC4-BHE_target.pdbqt | data/4K/4KC4-BHE/4KC4-BHE_decoys.pdbqt | data/4K/4KC4-BHE/4KC4-BHE_decoy_scores.csv |
4KVJ-P33 | data/4K/4KVJ-P33/4KVJ-P33_ligand.pdbqt | data/4K/4KVJ-P33/4KVJ-P33_target.pdbqt | data/4K/4KVJ-P33/4KVJ-P33_decoys.pdbqt | data/4K/4KVJ-P33/4KVJ-P33_decoy_scores.csv |
4K37-SAM | data/4K/4K37-SAM/4K37-SAM_ligand.pdbqt | data/4K/4K37-SAM/4K37-SAM_target.pdbqt | data/4K/4K37-SAM/4K37-SAM_decoys.pdbqt | data/4K/4K37-SAM/4K37-SAM_decoy_scores.csv |
4KTP-BGC | data/4K/4KTP-BGC/4KTP-BGC_ligand.pdbqt | data/4K/4KTP-BGC/4KTP-BGC_target.pdbqt | data/4K/4KTP-BGC/4KTP-BGC_decoys.pdbqt | data/4K/4KTP-BGC/4KTP-BGC_decoy_scores.csv |
4KYV-1Q9 | data/4K/4KYV-1Q9/4KYV-1Q9_ligand.pdbqt | data/4K/4KYV-1Q9/4KYV-1Q9_target.pdbqt | data/4K/4KYV-1Q9/4KYV-1Q9_decoys.pdbqt | data/4K/4KYV-1Q9/4KYV-1Q9_decoy_scores.csv |
4KQ6-DLZ | data/4K/4KQ6-DLZ/4KQ6-DLZ_ligand.pdbqt | data/4K/4KQ6-DLZ/4KQ6-DLZ_target.pdbqt | data/4K/4KQ6-DLZ/4KQ6-DLZ_decoys.pdbqt | data/4K/4KQ6-DLZ/4KQ6-DLZ_decoy_scores.csv |
4KGZ-PAL | data/4K/4KGZ-PAL/4KGZ-PAL_ligand.pdbqt | data/4K/4KGZ-PAL/4KGZ-PAL_target.pdbqt | data/4K/4KGZ-PAL/4KGZ-PAL_decoys.pdbqt | data/4K/4KGZ-PAL/4KGZ-PAL_decoy_scores.csv |
8HXM-141 | data/8H/8HXM-141/8HXM-141_ligand.pdbqt | data/8H/8HXM-141/8HXM-141_target.pdbqt | null | null |
8H8R-CHD | data/8H/8H8R-CHD/8H8R-CHD_ligand.pdbqt | data/8H/8H8R-CHD/8H8R-CHD_target.pdbqt | data/8H/8H8R-CHD/8H8R-CHD_decoys.pdbqt | data/8H/8H8R-CHD/8H8R-CHD_decoy_scores.csv |
8HXM-MTE | data/8H/8HXM-MTE/8HXM-MTE_ligand.pdbqt | data/8H/8HXM-MTE/8HXM-MTE_target.pdbqt | null | null |
8HMS-FBP | data/8H/8HMS-FBP/8HMS-FBP_ligand.pdbqt | data/8H/8HMS-FBP/8HMS-FBP_target.pdbqt | data/8H/8HMS-FBP/8HMS-FBP_decoys.pdbqt | data/8H/8HMS-FBP/8HMS-FBP_decoy_scores.csv |
8HUA-OLC | data/8H/8HUA-OLC/8HUA-OLC_ligand.pdbqt | data/8H/8HUA-OLC/8HUA-OLC_target.pdbqt | data/8H/8HUA-OLC/8HUA-OLC_decoys.pdbqt | data/8H/8HUA-OLC/8HUA-OLC_decoy_scores.csv |
8H99-ATP | data/8H/8H99-ATP/8H99-ATP_ligand.pdbqt | data/8H/8H99-ATP/8H99-ATP_target.pdbqt | data/8H/8H99-ATP/8H99-ATP_decoys.pdbqt | data/8H/8H99-ATP/8H99-ATP_decoy_scores.csv |
8H8R-DMU | data/8H/8H8R-DMU/8H8R-DMU_ligand.pdbqt | data/8H/8H8R-DMU/8H8R-DMU_target.pdbqt | data/8H/8H8R-DMU/8H8R-DMU_decoys.pdbqt | data/8H/8H8R-DMU/8H8R-DMU_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.