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 ⌀ |
|---|---|---|---|---|
2JI6-B3P | data/2J/2JI6-B3P/2JI6-B3P_ligand.pdbqt | data/2J/2JI6-B3P/2JI6-B3P_target.pdbqt | data/2J/2JI6-B3P/2JI6-B3P_decoys.pdbqt | data/2J/2JI6-B3P/2JI6-B3P_decoy_scores.csv |
2JIZ-STL | data/2J/2JIZ-STL/2JIZ-STL_ligand.pdbqt | data/2J/2JIZ-STL/2JIZ-STL_target.pdbqt | data/2J/2JIZ-STL/2JIZ-STL_decoys.pdbqt | data/2J/2JIZ-STL/2JIZ-STL_decoy_scores.csv |
2JHI-A2G | data/2J/2JHI-A2G/2JHI-A2G_ligand.pdbqt | data/2J/2JHI-A2G/2JHI-A2G_target.pdbqt | data/2J/2JHI-A2G/2JHI-A2G_decoys.pdbqt | data/2J/2JHI-A2G/2JHI-A2G_decoy_scores.csv |
2J83-BAT | data/2J/2J83-BAT/2J83-BAT_ligand.pdbqt | data/2J/2J83-BAT/2J83-BAT_target.pdbqt | data/2J/2J83-BAT/2J83-BAT_decoys.pdbqt | data/2J/2J83-BAT/2J83-BAT_decoy_scores.csv |
2JG0-TTZ | data/2J/2JG0-TTZ/2JG0-TTZ_ligand.pdbqt | data/2J/2JG0-TTZ/2JG0-TTZ_target.pdbqt | data/2J/2JG0-TTZ/2JG0-TTZ_decoys.pdbqt | data/2J/2JG0-TTZ/2JG0-TTZ_decoy_scores.csv |
2J7A-LMT | data/2J/2J7A-LMT/2J7A-LMT_ligand.pdbqt | data/2J/2J7A-LMT/2J7A-LMT_target.pdbqt | data/2J/2J7A-LMT/2J7A-LMT_decoys.pdbqt | data/2J/2J7A-LMT/2J7A-LMT_decoy_scores.csv |
2J9H-GTX | data/2J/2J9H-GTX/2J9H-GTX_ligand.pdbqt | data/2J/2J9H-GTX/2J9H-GTX_target.pdbqt | data/2J/2J9H-GTX/2J9H-GTX_decoys.pdbqt | data/2J/2J9H-GTX/2J9H-GTX_decoy_scores.csv |
2JDR-L20 | data/2J/2JDR-L20/2JDR-L20_ligand.pdbqt | data/2J/2JDR-L20/2JDR-L20_target.pdbqt | data/2J/2JDR-L20/2JDR-L20_decoys.pdbqt | data/2J/2JDR-L20/2JDR-L20_decoy_scores.csv |
2J1P-GRG | data/2J/2J1P-GRG/2J1P-GRG_ligand.pdbqt | data/2J/2J1P-GRG/2J1P-GRG_target.pdbqt | data/2J/2J1P-GRG/2J1P-GRG_decoys.pdbqt | data/2J/2J1P-GRG/2J1P-GRG_decoy_scores.csv |
2JJG-L18 | data/2J/2JJG-L18/2JJG-L18_ligand.pdbqt | data/2J/2JJG-L18/2JJG-L18_target.pdbqt | data/2J/2JJG-L18/2JJG-L18_decoys.pdbqt | data/2J/2JJG-L18/2JJG-L18_decoy_scores.csv |
2J7C-IDE | data/2J/2J7C-IDE/2J7C-IDE_ligand.pdbqt | data/2J/2J7C-IDE/2J7C-IDE_target.pdbqt | data/2J/2J7C-IDE/2J7C-IDE_decoys.pdbqt | data/2J/2J7C-IDE/2J7C-IDE_decoy_scores.csv |
2JB3-BE2 | data/2J/2JB3-BE2/2JB3-BE2_ligand.pdbqt | data/2J/2JB3-BE2/2JB3-BE2_target.pdbqt | data/2J/2JB3-BE2/2JB3-BE2_decoys.pdbqt | data/2J/2JB3-BE2/2JB3-BE2_decoy_scores.csv |
2JGF-P6G | data/2J/2JGF-P6G/2JGF-P6G_ligand.pdbqt | data/2J/2JGF-P6G/2JGF-P6G_target.pdbqt | data/2J/2JGF-P6G/2JGF-P6G_decoys.pdbqt | data/2J/2JGF-P6G/2JGF-P6G_decoy_scores.csv |
2J9D-AMP | data/2J/2J9D-AMP/2J9D-AMP_ligand.pdbqt | data/2J/2J9D-AMP/2J9D-AMP_target.pdbqt | data/2J/2J9D-AMP/2J9D-AMP_decoys.pdbqt | data/2J/2J9D-AMP/2J9D-AMP_decoy_scores.csv |
2J5B-TYE | data/2J/2J5B-TYE/2J5B-TYE_ligand.pdbqt | data/2J/2J5B-TYE/2J5B-TYE_target.pdbqt | data/2J/2J5B-TYE/2J5B-TYE_decoys.pdbqt | data/2J/2J5B-TYE/2J5B-TYE_decoy_scores.csv |
2J59-GTP | data/2J/2J59-GTP/2J59-GTP_ligand.pdbqt | data/2J/2J59-GTP/2J59-GTP_target.pdbqt | data/2J/2J59-GTP/2J59-GTP_decoys.pdbqt | data/2J/2J59-GTP/2J59-GTP_decoy_scores.csv |
2J3L-P5A | data/2J/2J3L-P5A/2J3L-P5A_ligand.pdbqt | data/2J/2J3L-P5A/2J3L-P5A_target.pdbqt | data/2J/2J3L-P5A/2J3L-P5A_decoys.pdbqt | data/2J/2J3L-P5A/2J3L-P5A_decoy_scores.csv |
2JFF-LK2 | data/2J/2JFF-LK2/2JFF-LK2_ligand.pdbqt | data/2J/2JFF-LK2/2JFF-LK2_target.pdbqt | data/2J/2JFF-LK2/2JFF-LK2_decoys.pdbqt | data/2J/2JFF-LK2/2JFF-LK2_decoy_scores.csv |
2J9F-THV | data/2J/2J9F-THV/2J9F-THV_ligand.pdbqt | data/2J/2J9F-THV/2J9F-THV_target.pdbqt | data/2J/2J9F-THV/2J9F-THV_decoys.pdbqt | data/2J/2J9F-THV/2J9F-THV_decoy_scores.csv |
2J0W-ADP | data/2J/2J0W-ADP/2J0W-ADP_ligand.pdbqt | data/2J/2J0W-ADP/2J0W-ADP_target.pdbqt | data/2J/2J0W-ADP/2J0W-ADP_decoys.pdbqt | data/2J/2J0W-ADP/2J0W-ADP_decoy_scores.csv |
2JB7-AMP | data/2J/2JB7-AMP/2JB7-AMP_ligand.pdbqt | data/2J/2JB7-AMP/2JB7-AMP_target.pdbqt | data/2J/2JB7-AMP/2JB7-AMP_decoys.pdbqt | data/2J/2JB7-AMP/2JB7-AMP_decoy_scores.csv |
2JCB-ADP | data/2J/2JCB-ADP/2JCB-ADP_ligand.pdbqt | data/2J/2JCB-ADP/2JCB-ADP_target.pdbqt | data/2J/2JCB-ADP/2JCB-ADP_decoys.pdbqt | data/2J/2JCB-ADP/2JCB-ADP_decoy_scores.csv |
2J2I-LY4 | data/2J/2J2I-LY4/2J2I-LY4_ligand.pdbqt | data/2J/2J2I-LY4/2J2I-LY4_target.pdbqt | data/2J/2J2I-LY4/2J2I-LY4_decoys.pdbqt | data/2J/2J2I-LY4/2J2I-LY4_decoy_scores.csv |
2JCX-FOM | data/2J/2JCX-FOM/2JCX-FOM_ligand.pdbqt | data/2J/2JCX-FOM/2JCX-FOM_target.pdbqt | data/2J/2JCX-FOM/2JCX-FOM_decoys.pdbqt | data/2J/2JCX-FOM/2JCX-FOM_decoy_scores.csv |
2JDN-MMA | data/2J/2JDN-MMA/2JDN-MMA_ligand.pdbqt | data/2J/2JDN-MMA/2JDN-MMA_target.pdbqt | data/2J/2JDN-MMA/2JDN-MMA_decoys.pdbqt | data/2J/2JDN-MMA/2JDN-MMA_decoy_scores.csv |
2JGJ-P6G | data/2J/2JGJ-P6G/2JGJ-P6G_ligand.pdbqt | data/2J/2JGJ-P6G/2JGJ-P6G_target.pdbqt | data/2J/2JGJ-P6G/2JGJ-P6G_decoys.pdbqt | data/2J/2JGJ-P6G/2JGJ-P6G_decoy_scores.csv |
2J8D-SPO | data/2J/2J8D-SPO/2J8D-SPO_ligand.pdbqt | data/2J/2J8D-SPO/2J8D-SPO_target.pdbqt | data/2J/2J8D-SPO/2J8D-SPO_decoys.pdbqt | data/2J/2J8D-SPO/2J8D-SPO_decoy_scores.csv |
2JKE-NOJ | data/2J/2JKE-NOJ/2JKE-NOJ_ligand.pdbqt | data/2J/2JKE-NOJ/2JKE-NOJ_target.pdbqt | data/2J/2JKE-NOJ/2JKE-NOJ_decoys.pdbqt | data/2J/2JKE-NOJ/2JKE-NOJ_decoy_scores.csv |
2J9N-BEN | data/2J/2J9N-BEN/2J9N-BEN_ligand.pdbqt | data/2J/2J9N-BEN/2J9N-BEN_target.pdbqt | data/2J/2J9N-BEN/2J9N-BEN_decoys.pdbqt | data/2J/2J9N-BEN/2J9N-BEN_decoy_scores.csv |
2JEW-720 | data/2J/2JEW-720/2JEW-720_ligand.pdbqt | data/2J/2JEW-720/2JEW-720_target.pdbqt | data/2J/2JEW-720/2JEW-720_decoys.pdbqt | data/2J/2JEW-720/2JEW-720_decoy_scores.csv |
2J65-UDP | data/2J/2J65-UDP/2J65-UDP_ligand.pdbqt | data/2J/2J65-UDP/2J65-UDP_target.pdbqt | data/2J/2J65-UDP/2J65-UDP_decoys.pdbqt | data/2J/2J65-UDP/2J65-UDP_decoy_scores.csv |
2J9C-ATP | data/2J/2J9C-ATP/2J9C-ATP_ligand.pdbqt | data/2J/2J9C-ATP/2J9C-ATP_target.pdbqt | data/2J/2J9C-ATP/2J9C-ATP_decoys.pdbqt | data/2J/2J9C-ATP/2J9C-ATP_decoy_scores.csv |
2JH5-895 | data/2J/2JH5-895/2JH5-895_ligand.pdbqt | data/2J/2JH5-895/2JH5-895_target.pdbqt | data/2J/2JH5-895/2JH5-895_decoys.pdbqt | data/2J/2JH5-895/2JH5-895_decoy_scores.csv |
2JDM-MFU | data/2J/2JDM-MFU/2JDM-MFU_ligand.pdbqt | data/2J/2JDM-MFU/2JDM-MFU_target.pdbqt | data/2J/2JDM-MFU/2JDM-MFU_decoys.pdbqt | data/2J/2JDM-MFU/2JDM-MFU_decoy_scores.csv |
2J1N-D12 | data/2J/2J1N-D12/2J1N-D12_ligand.pdbqt | data/2J/2J1N-D12/2J1N-D12_target.pdbqt | data/2J/2J1N-D12/2J1N-D12_decoys.pdbqt | data/2J/2J1N-D12/2J1N-D12_decoy_scores.csv |
2J95-GSX | data/2J/2J95-GSX/2J95-GSX_ligand.pdbqt | data/2J/2J95-GSX/2J95-GSX_target.pdbqt | data/2J/2J95-GSX/2J95-GSX_decoys.pdbqt | data/2J/2J95-GSX/2J95-GSX_decoy_scores.csv |
2J8D-LDA | data/2J/2J8D-LDA/2J8D-LDA_ligand.pdbqt | data/2J/2J8D-LDA/2J8D-LDA_target.pdbqt | data/2J/2J8D-LDA/2J8D-LDA_decoys.pdbqt | data/2J/2J8D-LDA/2J8D-LDA_decoy_scores.csv |
2JIY-D12 | data/2J/2JIY-D12/2JIY-D12_ligand.pdbqt | data/2J/2JIY-D12/2JIY-D12_target.pdbqt | data/2J/2JIY-D12/2JIY-D12_decoys.pdbqt | data/2J/2JIY-D12/2JIY-D12_decoy_scores.csv |
2JJ2-ADP | data/2J/2JJ2-ADP/2JJ2-ADP_ligand.pdbqt | data/2J/2JJ2-ADP/2JJ2-ADP_target.pdbqt | data/2J/2JJ2-ADP/2JJ2-ADP_decoys.pdbqt | data/2J/2JJ2-ADP/2JJ2-ADP_decoy_scores.csv |
2JCJ-UDP | data/2J/2JCJ-UDP/2JCJ-UDP_ligand.pdbqt | data/2J/2JCJ-UDP/2JCJ-UDP_target.pdbqt | data/2J/2JCJ-UDP/2JCJ-UDP_decoys.pdbqt | data/2J/2JCJ-UDP/2JCJ-UDP_decoy_scores.csv |
2JIW-BEU | data/2J/2JIW-BEU/2JIW-BEU_ligand.pdbqt | data/2J/2JIW-BEU/2JIW-BEU_target.pdbqt | data/2J/2JIW-BEU/2JIW-BEU_decoys.pdbqt | data/2J/2JIW-BEU/2JIW-BEU_decoy_scores.csv |
2J79-GTL | data/2J/2J79-GTL/2J79-GTL_ligand.pdbqt | data/2J/2J79-GTL/2J79-GTL_target.pdbqt | data/2J/2J79-GTL/2J79-GTL_decoys.pdbqt | data/2J/2J79-GTL/2J79-GTL_decoy_scores.csv |
2JHP-GUN | data/2J/2JHP-GUN/2JHP-GUN_ligand.pdbqt | data/2J/2JHP-GUN/2JHP-GUN_target.pdbqt | data/2J/2JHP-GUN/2JHP-GUN_decoys.pdbqt | data/2J/2JHP-GUN/2JHP-GUN_decoy_scores.csv |
2J78-GOX | data/2J/2J78-GOX/2J78-GOX_ligand.pdbqt | data/2J/2J78-GOX/2J78-GOX_target.pdbqt | data/2J/2J78-GOX/2J78-GOX_decoys.pdbqt | data/2J/2J78-GOX/2J78-GOX_decoy_scores.csv |
2JIY-SPN | data/2J/2JIY-SPN/2JIY-SPN_ligand.pdbqt | data/2J/2JIY-SPN/2JIY-SPN_target.pdbqt | data/2J/2JIY-SPN/2JIY-SPN_decoys.pdbqt | data/2J/2JIY-SPN/2JIY-SPN_decoy_scores.csv |
2JAF-PLM | data/2J/2JAF-PLM/2JAF-PLM_ligand.pdbqt | data/2J/2JAF-PLM/2JAF-PLM_target.pdbqt | data/2J/2JAF-PLM/2JAF-PLM_decoys.pdbqt | data/2J/2JAF-PLM/2JAF-PLM_decoy_scores.csv |
2J0L-ANP | data/2J/2J0L-ANP/2J0L-ANP_ligand.pdbqt | data/2J/2J0L-ANP/2J0L-ANP_target.pdbqt | data/2J/2J0L-ANP/2J0L-ANP_decoys.pdbqt | data/2J/2J0L-ANP/2J0L-ANP_decoy_scores.csv |
2JKY-5GP | data/2J/2JKY-5GP/2JKY-5GP_ligand.pdbqt | data/2J/2JKY-5GP/2JKY-5GP_target.pdbqt | data/2J/2JKY-5GP/2JKY-5GP_decoys.pdbqt | data/2J/2JKY-5GP/2JKY-5GP_decoy_scores.csv |
2JFO-GLU | data/2J/2JFO-GLU/2JFO-GLU_ligand.pdbqt | data/2J/2JFO-GLU/2JFO-GLU_target.pdbqt | data/2J/2JFO-GLU/2JFO-GLU_decoys.pdbqt | data/2J/2JFO-GLU/2JFO-GLU_decoy_scores.csv |
2J8D-HTO | data/2J/2J8D-HTO/2J8D-HTO_ligand.pdbqt | data/2J/2J8D-HTO/2J8D-HTO_target.pdbqt | data/2J/2J8D-HTO/2J8D-HTO_decoys.pdbqt | data/2J/2J8D-HTO/2J8D-HTO_decoy_scores.csv |
2JDP-MFU | data/2J/2JDP-MFU/2JDP-MFU_ligand.pdbqt | data/2J/2JDP-MFU/2JDP-MFU_target.pdbqt | data/2J/2JDP-MFU/2JDP-MFU_decoys.pdbqt | data/2J/2JDP-MFU/2JDP-MFU_decoy_scores.csv |
2JK5-L2C | data/2J/2JK5-L2C/2JK5-L2C_ligand.pdbqt | data/2J/2JK5-L2C/2JK5-L2C_target.pdbqt | data/2J/2JK5-L2C/2JK5-L2C_decoys.pdbqt | data/2J/2JK5-L2C/2JK5-L2C_decoy_scores.csv |
2JKP-CTS | data/2J/2JKP-CTS/2JKP-CTS_ligand.pdbqt | data/2J/2JKP-CTS/2JKP-CTS_target.pdbqt | data/2J/2JKP-CTS/2JKP-CTS_decoys.pdbqt | data/2J/2JKP-CTS/2JKP-CTS_decoy_scores.csv |
2JGV-ADP | data/2J/2JGV-ADP/2JGV-ADP_ligand.pdbqt | data/2J/2JGV-ADP/2JGV-ADP_target.pdbqt | data/2J/2JGV-ADP/2JGV-ADP_decoys.pdbqt | data/2J/2JGV-ADP/2JGV-ADP_decoy_scores.csv |
2JKJ-TH8 | data/2J/2JKJ-TH8/2JKJ-TH8_ligand.pdbqt | data/2J/2JKJ-TH8/2JKJ-TH8_target.pdbqt | data/2J/2JKJ-TH8/2JKJ-TH8_decoys.pdbqt | data/2J/2JKJ-TH8/2JKJ-TH8_decoy_scores.csv |
2JJP-KLN | data/2J/2JJP-KLN/2JJP-KLN_ligand.pdbqt | data/2J/2JJP-KLN/2JJP-KLN_target.pdbqt | data/2J/2JJP-KLN/2JJP-KLN_decoys.pdbqt | data/2J/2JJP-KLN/2JJP-KLN_decoy_scores.csv |
2J8C-SPO | data/2J/2J8C-SPO/2J8C-SPO_ligand.pdbqt | data/2J/2J8C-SPO/2J8C-SPO_target.pdbqt | data/2J/2J8C-SPO/2J8C-SPO_decoys.pdbqt | data/2J/2J8C-SPO/2J8C-SPO_decoy_scores.csv |
2J38-GS5 | data/2J/2J38-GS5/2J38-GS5_ligand.pdbqt | data/2J/2J38-GS5/2J38-GS5_target.pdbqt | data/2J/2J38-GS5/2J38-GS5_decoys.pdbqt | data/2J/2J38-GS5/2J38-GS5_decoy_scores.csv |
2JLR-ANP | data/2J/2JLR-ANP/2JLR-ANP_ligand.pdbqt | data/2J/2JLR-ANP/2JLR-ANP_target.pdbqt | data/2J/2JLR-ANP/2JLR-ANP_decoys.pdbqt | data/2J/2JLR-ANP/2JLR-ANP_decoy_scores.csv |
2J7H-AZF | data/2J/2J7H-AZF/2J7H-AZF_ligand.pdbqt | data/2J/2J7H-AZF/2J7H-AZF_target.pdbqt | data/2J/2J7H-AZF/2J7H-AZF_decoys.pdbqt | data/2J/2J7H-AZF/2J7H-AZF_decoy_scores.csv |
2J96-PVN | data/2J/2J96-PVN/2J96-PVN_ligand.pdbqt | data/2J/2J96-PVN/2J96-PVN_target.pdbqt | data/2J/2J96-PVN/2J96-PVN_decoys.pdbqt | data/2J/2J96-PVN/2J96-PVN_decoy_scores.csv |
2JJB-GLC | data/2J/2JJB-GLC/2JJB-GLC_ligand.pdbqt | data/2J/2JJB-GLC/2JJB-GLC_target.pdbqt | data/2J/2JJB-GLC/2JJB-GLC_decoys.pdbqt | data/2J/2JJB-GLC/2JJB-GLC_decoy_scores.csv |
2JI9-B3P | data/2J/2JI9-B3P/2JI9-B3P_ligand.pdbqt | data/2J/2JI9-B3P/2JI9-B3P_target.pdbqt | data/2J/2JI9-B3P/2JI9-B3P_decoys.pdbqt | data/2J/2JI9-B3P/2JI9-B3P_decoy_scores.csv |
2J94-G15 | data/2J/2J94-G15/2J94-G15_ligand.pdbqt | data/2J/2J94-G15/2J94-G15_target.pdbqt | data/2J/2J94-G15/2J94-G15_decoys.pdbqt | data/2J/2J94-G15/2J94-G15_decoy_scores.csv |
2JBL-NS5 | data/2J/2JBL-NS5/2JBL-NS5_ligand.pdbqt | data/2J/2JBL-NS5/2JBL-NS5_target.pdbqt | data/2J/2JBL-NS5/2JBL-NS5_decoys.pdbqt | data/2J/2JBL-NS5/2JBL-NS5_decoy_scores.csv |
2J9X-P1T | data/2J/2J9X-P1T/2J9X-P1T_ligand.pdbqt | data/2J/2J9X-P1T/2J9X-P1T_target.pdbqt | null | null |
5M1K-BTB | data/5M/5M1K-BTB/5M1K-BTB_ligand.pdbqt | data/5M/5M1K-BTB/5M1K-BTB_target.pdbqt | data/5M/5M1K-BTB/5M1K-BTB_decoys.pdbqt | data/5M/5M1K-BTB/5M1K-BTB_decoy_scores.csv |
5MG0-LBV | data/5M/5MG0-LBV/5MG0-LBV_ligand.pdbqt | data/5M/5MG0-LBV/5MG0-LBV_target.pdbqt | data/5M/5MG0-LBV/5MG0-LBV_decoys.pdbqt | data/5M/5MG0-LBV/5MG0-LBV_decoy_scores.csv |
5M7V-WZO | data/5M/5M7V-WZO/5M7V-WZO_ligand.pdbqt | data/5M/5M7V-WZO/5M7V-WZO_target.pdbqt | data/5M/5M7V-WZO/5M7V-WZO_decoys.pdbqt | data/5M/5M7V-WZO/5M7V-WZO_decoy_scores.csv |
5MO7-YRA | data/5M/5MO7-YRA/5MO7-YRA_ligand.pdbqt | data/5M/5MO7-YRA/5MO7-YRA_target.pdbqt | data/5M/5MO7-YRA/5MO7-YRA_decoys.pdbqt | data/5M/5MO7-YRA/5MO7-YRA_decoy_scores.csv |
5M65-ADE | data/5M/5M65-ADE/5M65-ADE_ligand.pdbqt | data/5M/5M65-ADE/5M65-ADE_target.pdbqt | data/5M/5M65-ADE/5M65-ADE_decoys.pdbqt | data/5M/5M65-ADE/5M65-ADE_decoy_scores.csv |
5MTR-NAD | data/5M/5MTR-NAD/5MTR-NAD_ligand.pdbqt | data/5M/5MTR-NAD/5MTR-NAD_target.pdbqt | data/5M/5MTR-NAD/5MTR-NAD_decoys.pdbqt | data/5M/5MTR-NAD/5MTR-NAD_decoy_scores.csv |
5MPJ-IHP | data/5M/5MPJ-IHP/5MPJ-IHP_ligand.pdbqt | data/5M/5MPJ-IHP/5MPJ-IHP_target.pdbqt | data/5M/5MPJ-IHP/5MPJ-IHP_decoys.pdbqt | data/5M/5MPJ-IHP/5MPJ-IHP_decoy_scores.csv |
5MLS-22U | data/5M/5MLS-22U/5MLS-22U_ligand.pdbqt | data/5M/5MLS-22U/5MLS-22U_target.pdbqt | data/5M/5MLS-22U/5MLS-22U_decoys.pdbqt | data/5M/5MLS-22U/5MLS-22U_decoy_scores.csv |
5MFW-7M6 | data/5M/5MFW-7M6/5MFW-7M6_ligand.pdbqt | data/5M/5MFW-7M6/5MFW-7M6_target.pdbqt | data/5M/5MFW-7M6/5MFW-7M6_decoys.pdbqt | data/5M/5MFW-7M6/5MFW-7M6_decoy_scores.csv |
5MUY-MGT | data/5M/5MUY-MGT/5MUY-MGT_ligand.pdbqt | data/5M/5MUY-MGT/5MUY-MGT_target.pdbqt | data/5M/5MUY-MGT/5MUY-MGT_decoys.pdbqt | data/5M/5MUY-MGT/5MUY-MGT_decoy_scores.csv |
5MRD-S26 | data/5M/5MRD-S26/5MRD-S26_ligand.pdbqt | data/5M/5MRD-S26/5MRD-S26_target.pdbqt | data/5M/5MRD-S26/5MRD-S26_decoys.pdbqt | data/5M/5MRD-S26/5MRD-S26_decoy_scores.csv |
5MAT-P6G | data/5M/5MAT-P6G/5MAT-P6G_ligand.pdbqt | data/5M/5MAT-P6G/5MAT-P6G_target.pdbqt | data/5M/5MAT-P6G/5MAT-P6G_decoys.pdbqt | data/5M/5MAT-P6G/5MAT-P6G_decoy_scores.csv |
5M6Z-ADP | data/5M/5M6Z-ADP/5M6Z-ADP_ligand.pdbqt | data/5M/5M6Z-ADP/5M6Z-ADP_target.pdbqt | data/5M/5M6Z-ADP/5M6Z-ADP_decoys.pdbqt | data/5M/5M6Z-ADP/5M6Z-ADP_decoy_scores.csv |
5MZP-OLC | data/5M/5MZP-OLC/5MZP-OLC_ligand.pdbqt | data/5M/5MZP-OLC/5MZP-OLC_target.pdbqt | data/5M/5MZP-OLC/5MZP-OLC_decoys.pdbqt | data/5M/5MZP-OLC/5MZP-OLC_decoy_scores.csv |
5MB1-FUL | data/5M/5MB1-FUL/5MB1-FUL_ligand.pdbqt | data/5M/5MB1-FUL/5MB1-FUL_target.pdbqt | data/5M/5MB1-FUL/5MB1-FUL_decoys.pdbqt | data/5M/5MB1-FUL/5MB1-FUL_decoy_scores.csv |
5M67-ADE | data/5M/5M67-ADE/5M67-ADE_ligand.pdbqt | data/5M/5M67-ADE/5M67-ADE_target.pdbqt | data/5M/5M67-ADE/5M67-ADE_decoys.pdbqt | data/5M/5M67-ADE/5M67-ADE_decoy_scores.csv |
5MVC-ORO | data/5M/5MVC-ORO/5MVC-ORO_ligand.pdbqt | data/5M/5MVC-ORO/5MVC-ORO_target.pdbqt | data/5M/5MVC-ORO/5MVC-ORO_decoys.pdbqt | data/5M/5MVC-ORO/5MVC-ORO_decoy_scores.csv |
5MZJ-CLR | data/5M/5MZJ-CLR/5MZJ-CLR_ligand.pdbqt | data/5M/5MZJ-CLR/5MZJ-CLR_target.pdbqt | data/5M/5MZJ-CLR/5MZJ-CLR_decoys.pdbqt | data/5M/5MZJ-CLR/5MZJ-CLR_decoy_scores.csv |
5MI7-7NT | data/5M/5MI7-7NT/5MI7-7NT_ligand.pdbqt | data/5M/5MI7-7NT/5MI7-7NT_target.pdbqt | data/5M/5MI7-7NT/5MI7-7NT_decoys.pdbqt | data/5M/5MI7-7NT/5MI7-7NT_decoy_scores.csv |
5M57-4SP | data/5M/5M57-4SP/5M57-4SP_ligand.pdbqt | data/5M/5M57-4SP/5M57-4SP_target.pdbqt | data/5M/5M57-4SP/5M57-4SP_decoys.pdbqt | data/5M/5M57-4SP/5M57-4SP_decoy_scores.csv |
5M6M-7H8 | data/5M/5M6M-7H8/5M6M-7H8_ligand.pdbqt | data/5M/5M6M-7H8/5M6M-7H8_target.pdbqt | data/5M/5M6M-7H8/5M6M-7H8_decoys.pdbqt | data/5M/5M6M-7H8/5M6M-7H8_decoy_scores.csv |
5MNR-JC2 | data/5M/5MNR-JC2/5MNR-JC2_ligand.pdbqt | data/5M/5MNR-JC2/5MNR-JC2_target.pdbqt | data/5M/5MNR-JC2/5MNR-JC2_decoys.pdbqt | data/5M/5MNR-JC2/5MNR-JC2_decoy_scores.csv |
5MYS-YP6 | data/5M/5MYS-YP6/5MYS-YP6_ligand.pdbqt | data/5M/5MYS-YP6/5MYS-YP6_target.pdbqt | data/5M/5MYS-YP6/5MYS-YP6_decoys.pdbqt | data/5M/5MYS-YP6/5MYS-YP6_decoy_scores.csv |
5M51-NU6 | data/5M/5M51-NU6/5M51-NU6_ligand.pdbqt | data/5M/5M51-NU6/5M51-NU6_target.pdbqt | data/5M/5M51-NU6/5M51-NU6_decoys.pdbqt | data/5M/5M51-NU6/5M51-NU6_decoy_scores.csv |
5MOE-OQC | data/5M/5MOE-OQC/5MOE-OQC_ligand.pdbqt | data/5M/5MOE-OQC/5MOE-OQC_target.pdbqt | data/5M/5MOE-OQC/5MOE-OQC_decoys.pdbqt | data/5M/5MOE-OQC/5MOE-OQC_decoy_scores.csv |
5MIL-DUP | data/5M/5MIL-DUP/5MIL-DUP_ligand.pdbqt | data/5M/5MIL-DUP/5MIL-DUP_target.pdbqt | data/5M/5MIL-DUP/5MIL-DUP_decoys.pdbqt | data/5M/5MIL-DUP/5MIL-DUP_decoy_scores.csv |
5M90-BEN | data/5M/5M90-BEN/5M90-BEN_ligand.pdbqt | data/5M/5M90-BEN/5M90-BEN_target.pdbqt | data/5M/5M90-BEN/5M90-BEN_decoys.pdbqt | data/5M/5M90-BEN/5M90-BEN_decoy_scores.csv |
5M3U-ADP | data/5M/5M3U-ADP/5M3U-ADP_ligand.pdbqt | data/5M/5M3U-ADP/5M3U-ADP_target.pdbqt | data/5M/5M3U-ADP/5M3U-ADP_decoys.pdbqt | data/5M/5M3U-ADP/5M3U-ADP_decoy_scores.csv |
5MKG-C2E | data/5M/5MKG-C2E/5MKG-C2E_ligand.pdbqt | data/5M/5MKG-C2E/5MKG-C2E_target.pdbqt | data/5M/5MKG-C2E/5MKG-C2E_decoys.pdbqt | data/5M/5MKG-C2E/5MKG-C2E_decoy_scores.csv |
5MX2-BCR | data/5M/5MX2-BCR/5MX2-BCR_ligand.pdbqt | data/5M/5MX2-BCR/5MX2-BCR_target.pdbqt | data/5M/5MX2-BCR/5MX2-BCR_decoys.pdbqt | data/5M/5MX2-BCR/5MX2-BCR_decoy_scores.csv |
5MRO-Q9P | data/5M/5MRO-Q9P/5MRO-Q9P_ligand.pdbqt | data/5M/5MRO-Q9P/5MRO-Q9P_target.pdbqt | data/5M/5MRO-Q9P/5MRO-Q9P_decoys.pdbqt | data/5M/5MRO-Q9P/5MRO-Q9P_decoy_scores.csv |
5MYN-ZUF | data/5M/5MYN-ZUF/5MYN-ZUF_ligand.pdbqt | data/5M/5MYN-ZUF/5MYN-ZUF_target.pdbqt | data/5M/5MYN-ZUF/5MYN-ZUF_decoys.pdbqt | data/5M/5MYN-ZUF/5MYN-ZUF_decoy_scores.csv |
5M71-7K7 | data/5M/5M71-7K7/5M71-7K7_ligand.pdbqt | data/5M/5M71-7K7/5M71-7K7_target.pdbqt | data/5M/5M71-7K7/5M71-7K7_decoys.pdbqt | data/5M/5M71-7K7/5M71-7K7_decoy_scores.csv |
5MOQ-BEN | data/5M/5MOQ-BEN/5MOQ-BEN_ligand.pdbqt | data/5M/5MOQ-BEN/5MOQ-BEN_target.pdbqt | null | null |
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