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 ⌀ |
|---|---|---|---|---|
2GFE-GLU | data/2G/2GFE-GLU/2GFE-GLU_ligand.pdbqt | data/2G/2GFE-GLU/2GFE-GLU_target.pdbqt | data/2G/2GFE-GLU/2GFE-GLU_decoys.pdbqt | data/2G/2GFE-GLU/2GFE-GLU_decoy_scores.csv |
2GGH-NLQ | data/2G/2GGH-NLQ/2GGH-NLQ_ligand.pdbqt | data/2G/2GGH-NLQ/2GGH-NLQ_target.pdbqt | data/2G/2GGH-NLQ/2GGH-NLQ_decoys.pdbqt | data/2G/2GGH-NLQ/2GGH-NLQ_decoy_scores.csv |
2GU5-NLP | data/2G/2GU5-NLP/2GU5-NLP_ligand.pdbqt | data/2G/2GU5-NLP/2GU5-NLP_target.pdbqt | data/2G/2GU5-NLP/2GU5-NLP_decoys.pdbqt | data/2G/2GU5-NLP/2GU5-NLP_decoy_scores.csv |
2G79-RET | data/2G/2G79-RET/2G79-RET_ligand.pdbqt | data/2G/2G79-RET/2G79-RET_target.pdbqt | data/2G/2G79-RET/2G79-RET_decoys.pdbqt | data/2G/2G79-RET/2G79-RET_decoy_scores.csv |
2GN3-MMA | data/2G/2GN3-MMA/2GN3-MMA_ligand.pdbqt | data/2G/2GN3-MMA/2GN3-MMA_target.pdbqt | data/2G/2GN3-MMA/2GN3-MMA_decoys.pdbqt | data/2G/2GN3-MMA/2GN3-MMA_decoy_scores.csv |
2GMU-PDG | data/2G/2GMU-PDG/2GMU-PDG_ligand.pdbqt | data/2G/2GMU-PDG/2GMU-PDG_target.pdbqt | data/2G/2GMU-PDG/2GMU-PDG_decoys.pdbqt | data/2G/2GMU-PDG/2GMU-PDG_decoy_scores.csv |
2G5R-NXD | data/2G/2G5R-NXD/2G5R-NXD_ligand.pdbqt | data/2G/2G5R-NXD/2G5R-NXD_target.pdbqt | data/2G/2G5R-NXD/2G5R-NXD_decoys.pdbqt | data/2G/2G5R-NXD/2G5R-NXD_decoy_scores.csv |
2GNU-LDA | data/2G/2GNU-LDA/2GNU-LDA_ligand.pdbqt | data/2G/2GNU-LDA/2GNU-LDA_target.pdbqt | data/2G/2GNU-LDA/2GNU-LDA_decoys.pdbqt | data/2G/2GNU-LDA/2GNU-LDA_decoy_scores.csv |
2GM9-3TH | data/2G/2GM9-3TH/2GM9-3TH_ligand.pdbqt | data/2G/2GM9-3TH/2GM9-3TH_target.pdbqt | data/2G/2GM9-3TH/2GM9-3TH_decoys.pdbqt | data/2G/2GM9-3TH/2GM9-3TH_decoy_scores.csv |
2GCO-GNP | data/2G/2GCO-GNP/2GCO-GNP_ligand.pdbqt | data/2G/2GCO-GNP/2GCO-GNP_target.pdbqt | data/2G/2GCO-GNP/2GCO-GNP_decoys.pdbqt | data/2G/2GCO-GNP/2GCO-GNP_decoy_scores.csv |
2GQN-BLP | data/2G/2GQN-BLP/2GQN-BLP_ligand.pdbqt | data/2G/2GQN-BLP/2GQN-BLP_target.pdbqt | data/2G/2GQN-BLP/2GQN-BLP_decoys.pdbqt | data/2G/2GQN-BLP/2GQN-BLP_decoy_scores.csv |
2G9X-NU5 | data/2G/2G9X-NU5/2G9X-NU5_ligand.pdbqt | data/2G/2G9X-NU5/2G9X-NU5_target.pdbqt | data/2G/2G9X-NU5/2G9X-NU5_decoys.pdbqt | data/2G/2G9X-NU5/2G9X-NU5_decoy_scores.csv |
2GM9-PLR | data/2G/2GM9-PLR/2GM9-PLR_ligand.pdbqt | data/2G/2GM9-PLR/2GM9-PLR_target.pdbqt | data/2G/2GM9-PLR/2GM9-PLR_decoys.pdbqt | data/2G/2GM9-PLR/2GM9-PLR_decoy_scores.csv |
2G94-ZPQ | data/2G/2G94-ZPQ/2G94-ZPQ_ligand.pdbqt | data/2G/2G94-ZPQ/2G94-ZPQ_target.pdbqt | data/2G/2G94-ZPQ/2G94-ZPQ_decoys.pdbqt | data/2G/2G94-ZPQ/2G94-ZPQ_decoy_scores.csv |
2G6M-H4B | data/2G/2G6M-H4B/2G6M-H4B_ligand.pdbqt | data/2G/2G6M-H4B/2G6M-H4B_target.pdbqt | data/2G/2G6M-H4B/2G6M-H4B_decoys.pdbqt | data/2G/2G6M-H4B/2G6M-H4B_decoy_scores.csv |
2G22-6IG | data/2G/2G22-6IG/2G22-6IG_ligand.pdbqt | data/2G/2G22-6IG/2G22-6IG_target.pdbqt | data/2G/2G22-6IG/2G22-6IG_decoys.pdbqt | data/2G/2G22-6IG/2G22-6IG_decoy_scores.csv |
2G6W-LLF | data/2G/2G6W-LLF/2G6W-LLF_ligand.pdbqt | data/2G/2G6W-LLF/2G6W-LLF_target.pdbqt | data/2G/2G6W-LLF/2G6W-LLF_decoys.pdbqt | data/2G/2G6W-LLF/2G6W-LLF_decoy_scores.csv |
2G86-UMP | data/2G/2G86-UMP/2G86-UMP_ligand.pdbqt | data/2G/2G86-UMP/2G86-UMP_target.pdbqt | data/2G/2G86-UMP/2G86-UMP_decoys.pdbqt | data/2G/2G86-UMP/2G86-UMP_decoy_scores.csv |
2GWC-BSC | data/2G/2GWC-BSC/2GWC-BSC_ligand.pdbqt | data/2G/2GWC-BSC/2GWC-BSC_target.pdbqt | data/2G/2GWC-BSC/2GWC-BSC_decoys.pdbqt | data/2G/2GWC-BSC/2GWC-BSC_decoy_scores.csv |
2G6I-HBI | data/2G/2G6I-HBI/2G6I-HBI_ligand.pdbqt | data/2G/2G6I-HBI/2G6I-HBI_target.pdbqt | data/2G/2G6I-HBI/2G6I-HBI_decoys.pdbqt | data/2G/2G6I-HBI/2G6I-HBI_decoy_scores.csv |
2GX5-PCG | data/2G/2GX5-PCG/2GX5-PCG_ligand.pdbqt | data/2G/2GX5-PCG/2GX5-PCG_target.pdbqt | data/2G/2GX5-PCG/2GX5-PCG_decoys.pdbqt | data/2G/2GX5-PCG/2GX5-PCG_decoy_scores.csv |
2G5O-DRQ | data/2G/2G5O-DRQ/2G5O-DRQ_ligand.pdbqt | data/2G/2G5O-DRQ/2G5O-DRQ_target.pdbqt | data/2G/2G5O-DRQ/2G5O-DRQ_decoys.pdbqt | data/2G/2G5O-DRQ/2G5O-DRQ_decoy_scores.csv |
2GMV-PEP | data/2G/2GMV-PEP/2GMV-PEP_ligand.pdbqt | data/2G/2GMV-PEP/2GMV-PEP_target.pdbqt | data/2G/2GMV-PEP/2GMV-PEP_decoys.pdbqt | data/2G/2GMV-PEP/2GMV-PEP_decoy_scores.csv |
2G7Q-AHL | data/2G/2G7Q-AHL/2G7Q-AHL_ligand.pdbqt | data/2G/2G7Q-AHL/2G7Q-AHL_target.pdbqt | data/2G/2G7Q-AHL/2G7Q-AHL_decoys.pdbqt | data/2G/2G7Q-AHL/2G7Q-AHL_decoy_scores.csv |
2GM1-ADP | data/2G/2GM1-ADP/2GM1-ADP_ligand.pdbqt | data/2G/2GM1-ADP/2GM1-ADP_target.pdbqt | data/2G/2GM1-ADP/2GM1-ADP_decoys.pdbqt | data/2G/2GM1-ADP/2GM1-ADP_decoy_scores.csv |
2GH7-BTN | data/2G/2GH7-BTN/2GH7-BTN_ligand.pdbqt | data/2G/2GH7-BTN/2GH7-BTN_target.pdbqt | data/2G/2GH7-BTN/2GH7-BTN_decoys.pdbqt | data/2G/2GH7-BTN/2GH7-BTN_decoy_scores.csv |
8PRN-C8E | data/8P/8PRN-C8E/8PRN-C8E_ligand.pdbqt | data/8P/8PRN-C8E/8PRN-C8E_target.pdbqt | data/8P/8PRN-C8E/8PRN-C8E_decoys.pdbqt | data/8P/8PRN-C8E/8PRN-C8E_decoy_scores.csv |
2J1A-GAL | data/2J/2J1A-GAL/2J1A-GAL_ligand.pdbqt | data/2J/2J1A-GAL/2J1A-GAL_target.pdbqt | data/2J/2J1A-GAL/2J1A-GAL_decoys.pdbqt | data/2J/2J1A-GAL/2J1A-GAL_decoy_scores.csv |
2JDI-ANP | data/2J/2JDI-ANP/2JDI-ANP_ligand.pdbqt | data/2J/2JDI-ANP/2JDI-ANP_target.pdbqt | data/2J/2JDI-ANP/2JDI-ANP_decoys.pdbqt | data/2J/2JDI-ANP/2JDI-ANP_decoy_scores.csv |
2JKK-BI9 | data/2J/2JKK-BI9/2JKK-BI9_ligand.pdbqt | data/2J/2JKK-BI9/2JKK-BI9_target.pdbqt | data/2J/2JKK-BI9/2JKK-BI9_decoys.pdbqt | data/2J/2JKK-BI9/2JKK-BI9_decoy_scores.csv |
2JHS-FLC | data/2J/2JHS-FLC/2JHS-FLC_ligand.pdbqt | data/2J/2JHS-FLC/2JHS-FLC_target.pdbqt | data/2J/2JHS-FLC/2JHS-FLC_decoys.pdbqt | data/2J/2JHS-FLC/2JHS-FLC_decoy_scores.csv |
2JFQ-DGL | data/2J/2JFQ-DGL/2JFQ-DGL_ligand.pdbqt | data/2J/2JFQ-DGL/2JFQ-DGL_target.pdbqt | data/2J/2JFQ-DGL/2JFQ-DGL_decoys.pdbqt | data/2J/2JFQ-DGL/2JFQ-DGL_decoy_scores.csv |
2JIH-097 | data/2J/2JIH-097/2JIH-097_ligand.pdbqt | data/2J/2JIH-097/2JIH-097_target.pdbqt | data/2J/2JIH-097/2JIH-097_decoys.pdbqt | data/2J/2JIH-097/2JIH-097_decoy_scores.csv |
2JDY-MMA | data/2J/2JDY-MMA/2JDY-MMA_ligand.pdbqt | data/2J/2JDY-MMA/2JDY-MMA_target.pdbqt | data/2J/2JDY-MMA/2JDY-MMA_decoys.pdbqt | data/2J/2JDY-MMA/2JDY-MMA_decoy_scores.csv |
2JGQ-QGA | data/2J/2JGQ-QGA/2JGQ-QGA_ligand.pdbqt | data/2J/2JGQ-QGA/2JGQ-QGA_target.pdbqt | data/2J/2JGQ-QGA/2JGQ-QGA_decoys.pdbqt | data/2J/2JGQ-QGA/2JGQ-QGA_decoy_scores.csv |
2JAV-5Z5 | data/2J/2JAV-5Z5/2JAV-5Z5_ligand.pdbqt | data/2J/2JAV-5Z5/2JAV-5Z5_target.pdbqt | data/2J/2JAV-5Z5/2JAV-5Z5_decoys.pdbqt | data/2J/2JAV-5Z5/2JAV-5Z5_decoy_scores.csv |
2J3W-PLM | data/2J/2J3W-PLM/2J3W-PLM_ligand.pdbqt | data/2J/2J3W-PLM/2J3W-PLM_target.pdbqt | data/2J/2J3W-PLM/2J3W-PLM_decoys.pdbqt | data/2J/2J3W-PLM/2J3W-PLM_decoy_scores.csv |
2JEC-XMM | data/2J/2JEC-XMM/2JEC-XMM_ligand.pdbqt | data/2J/2JEC-XMM/2JEC-XMM_target.pdbqt | data/2J/2JEC-XMM/2JEC-XMM_decoys.pdbqt | data/2J/2JEC-XMM/2JEC-XMM_decoy_scores.csv |
2JJQ-SAH | data/2J/2JJQ-SAH/2JJQ-SAH_ligand.pdbqt | data/2J/2JJQ-SAH/2JJQ-SAH_target.pdbqt | data/2J/2JJQ-SAH/2JJQ-SAH_decoys.pdbqt | data/2J/2JJQ-SAH/2JJQ-SAH_decoy_scores.csv |
2JC9-ADN | data/2J/2JC9-ADN/2JC9-ADN_ligand.pdbqt | data/2J/2JC9-ADN/2JC9-ADN_target.pdbqt | data/2J/2JC9-ADN/2JC9-ADN_decoys.pdbqt | data/2J/2JC9-ADN/2JC9-ADN_decoy_scores.csv |
2JIY-LDA | data/2J/2JIY-LDA/2JIY-LDA_ligand.pdbqt | data/2J/2JIY-LDA/2JIY-LDA_target.pdbqt | data/2J/2JIY-LDA/2JIY-LDA_decoys.pdbqt | data/2J/2JIY-LDA/2JIY-LDA_decoy_scores.csv |
2J4J-U5P | data/2J/2J4J-U5P/2J4J-U5P_ligand.pdbqt | data/2J/2J4J-U5P/2J4J-U5P_target.pdbqt | data/2J/2J4J-U5P/2J4J-U5P_decoys.pdbqt | data/2J/2J4J-U5P/2J4J-U5P_decoy_scores.csv |
2J77-NOJ | data/2J/2J77-NOJ/2J77-NOJ_ligand.pdbqt | data/2J/2J77-NOJ/2J77-NOJ_target.pdbqt | data/2J/2J77-NOJ/2J77-NOJ_decoys.pdbqt | data/2J/2J77-NOJ/2J77-NOJ_decoy_scores.csv |
2J9X-G3P | data/2J/2J9X-G3P/2J9X-G3P_ligand.pdbqt | data/2J/2J9X-G3P/2J9X-G3P_target.pdbqt | null | null |
2J07-HDF | data/2J/2J07-HDF/2J07-HDF_ligand.pdbqt | data/2J/2J07-HDF/2J07-HDF_target.pdbqt | data/2J/2J07-HDF/2J07-HDF_decoys.pdbqt | data/2J/2J07-HDF/2J07-HDF_decoy_scores.csv |
2J4A-OEF | data/2J/2J4A-OEF/2J4A-OEF_ligand.pdbqt | data/2J/2J4A-OEF/2J4A-OEF_target.pdbqt | data/2J/2J4A-OEF/2J4A-OEF_decoys.pdbqt | data/2J/2J4A-OEF/2J4A-OEF_decoy_scores.csv |
2J5S-KTA | data/2J/2J5S-KTA/2J5S-KTA_ligand.pdbqt | data/2J/2J5S-KTA/2J5S-KTA_target.pdbqt | data/2J/2J5S-KTA/2J5S-KTA_decoys.pdbqt | data/2J/2J5S-KTA/2J5S-KTA_decoy_scores.csv |
2J7T-274 | data/2J/2J7T-274/2J7T-274_ligand.pdbqt | data/2J/2J7T-274/2J7T-274_target.pdbqt | data/2J/2J7T-274/2J7T-274_decoys.pdbqt | data/2J/2J7T-274/2J7T-274_decoy_scores.csv |
2JF0-P6G | data/2J/2JF0-P6G/2JF0-P6G_ligand.pdbqt | data/2J/2JF0-P6G/2JF0-P6G_target.pdbqt | data/2J/2JF0-P6G/2JF0-P6G_decoys.pdbqt | data/2J/2JF0-P6G/2JF0-P6G_decoy_scores.csv |
2JBH-5GP | data/2J/2JBH-5GP/2JBH-5GP_ligand.pdbqt | data/2J/2JBH-5GP/2JBH-5GP_target.pdbqt | null | null |
2J62-GSZ | data/2J/2J62-GSZ/2J62-GSZ_ligand.pdbqt | data/2J/2J62-GSZ/2J62-GSZ_target.pdbqt | data/2J/2J62-GSZ/2J62-GSZ_decoys.pdbqt | data/2J/2J62-GSZ/2J62-GSZ_decoy_scores.csv |
2JAF-RET | data/2J/2JAF-RET/2JAF-RET_ligand.pdbqt | data/2J/2JAF-RET/2JAF-RET_target.pdbqt | data/2J/2JAF-RET/2JAF-RET_decoys.pdbqt | data/2J/2JAF-RET/2JAF-RET_decoy_scores.csv |
2JAJ-D20 | data/2J/2JAJ-D20/2JAJ-D20_ligand.pdbqt | data/2J/2JAJ-D20/2JAJ-D20_target.pdbqt | data/2J/2JAJ-D20/2JAJ-D20_decoys.pdbqt | data/2J/2JAJ-D20/2JAJ-D20_decoy_scores.csv |
2JAI-CIR | data/2J/2JAI-CIR/2JAI-CIR_ligand.pdbqt | data/2J/2JAI-CIR/2JAI-CIR_target.pdbqt | data/2J/2JAI-CIR/2JAI-CIR_decoys.pdbqt | data/2J/2JAI-CIR/2JAI-CIR_decoy_scores.csv |
2JC1-698 | data/2J/2JC1-698/2JC1-698_ligand.pdbqt | data/2J/2JC1-698/2JC1-698_target.pdbqt | data/2J/2JC1-698/2JC1-698_decoys.pdbqt | data/2J/2JC1-698/2JC1-698_decoy_scores.csv |
2J4K-U5P | data/2J/2J4K-U5P/2J4K-U5P_ligand.pdbqt | data/2J/2J4K-U5P/2J4K-U5P_target.pdbqt | data/2J/2J4K-U5P/2J4K-U5P_decoys.pdbqt | data/2J/2J4K-U5P/2J4K-U5P_decoy_scores.csv |
2J47-GDV | data/2J/2J47-GDV/2J47-GDV_ligand.pdbqt | data/2J/2J47-GDV/2J47-GDV_target.pdbqt | data/2J/2J47-GDV/2J47-GDV_decoys.pdbqt | data/2J/2J47-GDV/2J47-GDV_decoy_scores.csv |
2JAQ-DCP | data/2J/2JAQ-DCP/2JAQ-DCP_ligand.pdbqt | data/2J/2JAQ-DCP/2JAQ-DCP_target.pdbqt | data/2J/2JAQ-DCP/2JAQ-DCP_decoys.pdbqt | data/2J/2JAQ-DCP/2JAQ-DCP_decoy_scores.csv |
2J0R-12P | data/2J/2J0R-12P/2J0R-12P_ligand.pdbqt | data/2J/2J0R-12P/2J0R-12P_target.pdbqt | data/2J/2J0R-12P/2J0R-12P_decoys.pdbqt | data/2J/2J0R-12P/2J0R-12P_decoy_scores.csv |
2JCK-UDP | data/2J/2JCK-UDP/2JCK-UDP_ligand.pdbqt | data/2J/2JCK-UDP/2JCK-UDP_target.pdbqt | data/2J/2JCK-UDP/2JCK-UDP_decoys.pdbqt | data/2J/2JCK-UDP/2JCK-UDP_decoy_scores.csv |
2J91-AMP | data/2J/2J91-AMP/2J91-AMP_ligand.pdbqt | data/2J/2J91-AMP/2J91-AMP_target.pdbqt | data/2J/2J91-AMP/2J91-AMP_decoys.pdbqt | data/2J/2J91-AMP/2J91-AMP_decoy_scores.csv |
2JF9-OHT | data/2J/2JF9-OHT/2JF9-OHT_ligand.pdbqt | data/2J/2JF9-OHT/2JF9-OHT_target.pdbqt | data/2J/2JF9-OHT/2JF9-OHT_decoys.pdbqt | data/2J/2JF9-OHT/2JF9-OHT_decoy_scores.csv |
2J4J-ACP | data/2J/2J4J-ACP/2J4J-ACP_ligand.pdbqt | data/2J/2J4J-ACP/2J4J-ACP_target.pdbqt | data/2J/2J4J-ACP/2J4J-ACP_decoys.pdbqt | data/2J/2J4J-ACP/2J4J-ACP_decoy_scores.csv |
2JLB-UDM | data/2J/2JLB-UDM/2JLB-UDM_ligand.pdbqt | data/2J/2JLB-UDM/2JLB-UDM_target.pdbqt | data/2J/2JLB-UDM/2JLB-UDM_decoys.pdbqt | data/2J/2JLB-UDM/2JLB-UDM_decoy_scores.csv |
2JIE-G2F | data/2J/2JIE-G2F/2JIE-G2F_ligand.pdbqt | data/2J/2JIE-G2F/2JIE-G2F_target.pdbqt | data/2J/2JIE-G2F/2JIE-G2F_decoys.pdbqt | data/2J/2JIE-G2F/2JIE-G2F_decoy_scores.csv |
2JC5-BCN | data/2J/2JC5-BCN/2JC5-BCN_ligand.pdbqt | data/2J/2JC5-BCN/2JC5-BCN_target.pdbqt | data/2J/2JC5-BCN/2JC5-BCN_decoys.pdbqt | data/2J/2JC5-BCN/2JC5-BCN_decoy_scores.csv |
2JBL-MQ7 | data/2J/2JBL-MQ7/2JBL-MQ7_ligand.pdbqt | data/2J/2JBL-MQ7/2JBL-MQ7_target.pdbqt | data/2J/2JBL-MQ7/2JBL-MQ7_decoys.pdbqt | data/2J/2JBL-MQ7/2JBL-MQ7_decoy_scores.csv |
2JFY-DGL | data/2J/2JFY-DGL/2JFY-DGL_ligand.pdbqt | data/2J/2JFY-DGL/2JFY-DGL_target.pdbqt | data/2J/2JFY-DGL/2JFY-DGL_decoys.pdbqt | data/2J/2JFY-DGL/2JFY-DGL_decoy_scores.csv |
2J8C-LDA | data/2J/2J8C-LDA/2J8C-LDA_ligand.pdbqt | data/2J/2J8C-LDA/2J8C-LDA_target.pdbqt | data/2J/2J8C-LDA/2J8C-LDA_decoys.pdbqt | data/2J/2J8C-LDA/2J8C-LDA_decoy_scores.csv |
2JJ2-ANP | data/2J/2JJ2-ANP/2JJ2-ANP_ligand.pdbqt | data/2J/2JJ2-ANP/2JJ2-ANP_target.pdbqt | data/2J/2JJ2-ANP/2JJ2-ANP_decoys.pdbqt | data/2J/2JJ2-ANP/2JJ2-ANP_decoy_scores.csv |
2JDO-I5S | data/2J/2JDO-I5S/2JDO-I5S_ligand.pdbqt | data/2J/2JDO-I5S/2JDO-I5S_target.pdbqt | data/2J/2JDO-I5S/2JDO-I5S_decoys.pdbqt | data/2J/2JDO-I5S/2JDO-I5S_decoy_scores.csv |
2JHG-NAD | data/2J/2JHG-NAD/2JHG-NAD_ligand.pdbqt | data/2J/2JHG-NAD/2JHG-NAD_target.pdbqt | data/2J/2JHG-NAD/2JHG-NAD_decoys.pdbqt | data/2J/2JHG-NAD/2JHG-NAD_decoy_scores.csv |
2JK5-TBA | data/2J/2JK5-TBA/2JK5-TBA_ligand.pdbqt | data/2J/2JK5-TBA/2JK5-TBA_target.pdbqt | data/2J/2JK5-TBA/2JK5-TBA_decoys.pdbqt | data/2J/2JK5-TBA/2JK5-TBA_decoy_scores.csv |
2J4D-MHF | data/2J/2J4D-MHF/2J4D-MHF_ligand.pdbqt | data/2J/2J4D-MHF/2J4D-MHF_target.pdbqt | data/2J/2J4D-MHF/2J4D-MHF_decoys.pdbqt | data/2J/2J4D-MHF/2J4D-MHF_decoy_scores.csv |
2J6L-NAI | data/2J/2J6L-NAI/2J6L-NAI_ligand.pdbqt | data/2J/2J6L-NAI/2J6L-NAI_target.pdbqt | data/2J/2J6L-NAI/2J6L-NAI_decoys.pdbqt | data/2J/2J6L-NAI/2J6L-NAI_decoy_scores.csv |
2J1L-GDP | data/2J/2J1L-GDP/2J1L-GDP_ligand.pdbqt | data/2J/2J1L-GDP/2J1L-GDP_target.pdbqt | data/2J/2J1L-GDP/2J1L-GDP_decoys.pdbqt | data/2J/2J1L-GDP/2J1L-GDP_decoy_scores.csv |
2J8R-MSL | data/2J/2J8R-MSL/2J8R-MSL_ligand.pdbqt | data/2J/2J8R-MSL/2J8R-MSL_target.pdbqt | data/2J/2J8R-MSL/2J8R-MSL_decoys.pdbqt | data/2J/2J8R-MSL/2J8R-MSL_decoy_scores.csv |
2JC6-QPP | data/2J/2JC6-QPP/2JC6-QPP_ligand.pdbqt | data/2J/2JC6-QPP/2JC6-QPP_target.pdbqt | data/2J/2JC6-QPP/2JC6-QPP_decoys.pdbqt | data/2J/2JC6-QPP/2JC6-QPP_decoy_scores.csv |
2J5N-NAD | data/2J/2J5N-NAD/2J5N-NAD_ligand.pdbqt | data/2J/2J5N-NAD/2J5N-NAD_target.pdbqt | data/2J/2J5N-NAD/2J5N-NAD_decoys.pdbqt | data/2J/2J5N-NAD/2J5N-NAD_decoy_scores.csv |
2JAO-DGP | data/2J/2JAO-DGP/2JAO-DGP_ligand.pdbqt | data/2J/2JAO-DGP/2JAO-DGP_target.pdbqt | data/2J/2JAO-DGP/2JAO-DGP_decoys.pdbqt | data/2J/2JAO-DGP/2JAO-DGP_decoy_scores.csv |
2JDU-MFU | data/2J/2JDU-MFU/2JDU-MFU_ligand.pdbqt | data/2J/2JDU-MFU/2JDU-MFU_target.pdbqt | data/2J/2JDU-MFU/2JDU-MFU_decoys.pdbqt | data/2J/2JDU-MFU/2JDU-MFU_decoy_scores.csv |
2JG8-SEP | data/2J/2JG8-SEP/2JG8-SEP_ligand.pdbqt | data/2J/2JG8-SEP/2JG8-SEP_target.pdbqt | data/2J/2JG8-SEP/2JG8-SEP_decoys.pdbqt | data/2J/2JG8-SEP/2JG8-SEP_decoy_scores.csv |
2J6H-G6Q | data/2J/2J6H-G6Q/2J6H-G6Q_ligand.pdbqt | data/2J/2J6H-G6Q/2J6H-G6Q_target.pdbqt | data/2J/2J6H-G6Q/2J6H-G6Q_decoys.pdbqt | data/2J/2J6H-G6Q/2J6H-G6Q_decoy_scores.csv |
2JBL-SMA | data/2J/2JBL-SMA/2JBL-SMA_ligand.pdbqt | data/2J/2JBL-SMA/2JBL-SMA_target.pdbqt | data/2J/2JBL-SMA/2JBL-SMA_decoys.pdbqt | data/2J/2JBL-SMA/2JBL-SMA_decoy_scores.csv |
2J4I-GSJ | data/2J/2J4I-GSJ/2J4I-GSJ_ligand.pdbqt | data/2J/2J4I-GSJ/2J4I-GSJ_target.pdbqt | data/2J/2J4I-GSJ/2J4I-GSJ_decoys.pdbqt | data/2J/2J4I-GSJ/2J4I-GSJ_decoy_scores.csv |
2JF0-HBP | data/2J/2JF0-HBP/2JF0-HBP_ligand.pdbqt | data/2J/2JF0-HBP/2JF0-HBP_target.pdbqt | data/2J/2JF0-HBP/2JF0-HBP_decoys.pdbqt | data/2J/2JF0-HBP/2JF0-HBP_decoy_scores.csv |
2J7F-GI3 | data/2J/2J7F-GI3/2J7F-GI3_ligand.pdbqt | data/2J/2J7F-GI3/2J7F-GI3_target.pdbqt | data/2J/2J7F-GI3/2J7F-GI3_decoys.pdbqt | data/2J/2J7F-GI3/2J7F-GI3_decoy_scores.csv |
2J4Z-626 | data/2J/2J4Z-626/2J4Z-626_ligand.pdbqt | data/2J/2J4Z-626/2J4Z-626_target.pdbqt | null | null |
2JIZ-ANP | data/2J/2JIZ-ANP/2JIZ-ANP_ligand.pdbqt | data/2J/2JIZ-ANP/2JIZ-ANP_target.pdbqt | data/2J/2JIZ-ANP/2JIZ-ANP_decoys.pdbqt | data/2J/2JIZ-ANP/2JIZ-ANP_decoy_scores.csv |
2JKH-BI7 | data/2J/2JKH-BI7/2JKH-BI7_ligand.pdbqt | data/2J/2JKH-BI7/2JKH-BI7_target.pdbqt | data/2J/2JKH-BI7/2JKH-BI7_decoys.pdbqt | data/2J/2JKH-BI7/2JKH-BI7_decoy_scores.csv |
2J9E-ATP | data/2J/2J9E-ATP/2J9E-ATP_ligand.pdbqt | data/2J/2J9E-ATP/2J9E-ATP_target.pdbqt | data/2J/2J9E-ATP/2J9E-ATP_decoys.pdbqt | data/2J/2J9E-ATP/2J9E-ATP_decoy_scores.csv |
2JIB-ADP | data/2J/2JIB-ADP/2JIB-ADP_ligand.pdbqt | data/2J/2JIB-ADP/2JIB-ADP_target.pdbqt | data/2J/2JIB-ADP/2JIB-ADP_decoys.pdbqt | data/2J/2JIB-ADP/2JIB-ADP_decoy_scores.csv |
2J9D-ADP | data/2J/2J9D-ADP/2J9D-ADP_ligand.pdbqt | data/2J/2J9D-ADP/2J9D-ADP_target.pdbqt | data/2J/2J9D-ADP/2J9D-ADP_decoys.pdbqt | data/2J/2J9D-ADP/2J9D-ADP_decoy_scores.csv |
2JLS-ADP | data/2J/2JLS-ADP/2JLS-ADP_ligand.pdbqt | data/2J/2JLS-ADP/2JLS-ADP_target.pdbqt | data/2J/2JLS-ADP/2JLS-ADP_decoys.pdbqt | data/2J/2JLS-ADP/2JLS-ADP_decoy_scores.csv |
2JFP-DGL | data/2J/2JFP-DGL/2JFP-DGL_ligand.pdbqt | data/2J/2JFP-DGL/2JFP-DGL_target.pdbqt | data/2J/2JFP-DGL/2JFP-DGL_decoys.pdbqt | data/2J/2JFP-DGL/2JFP-DGL_decoy_scores.csv |
2JE7-XMM | data/2J/2JE7-XMM/2JE7-XMM_ligand.pdbqt | data/2J/2JE7-XMM/2JE7-XMM_target.pdbqt | data/2J/2JE7-XMM/2JE7-XMM_decoys.pdbqt | data/2J/2JE7-XMM/2JE7-XMM_decoy_scores.csv |
2JIZ-ADP | data/2J/2JIZ-ADP/2JIZ-ADP_ligand.pdbqt | data/2J/2JIZ-ADP/2JIZ-ADP_target.pdbqt | data/2J/2JIZ-ADP/2JIZ-ADP_decoys.pdbqt | data/2J/2JIZ-ADP/2JIZ-ADP_decoy_scores.csv |
2J7G-GI4 | data/2J/2J7G-GI4/2J7G-GI4_ligand.pdbqt | data/2J/2J7G-GI4/2J7G-GI4_target.pdbqt | data/2J/2J7G-GI4/2J7G-GI4_decoys.pdbqt | data/2J/2J7G-GI4/2J7G-GI4_decoy_scores.csv |
2JJB-3CU | data/2J/2JJB-3CU/2JJB-3CU_ligand.pdbqt | data/2J/2JJB-3CU/2JJB-3CU_target.pdbqt | data/2J/2JJB-3CU/2JJB-3CU_decoys.pdbqt | data/2J/2JJB-3CU/2JJB-3CU_decoy_scores.csv |
2J5Z-GAL | data/2J/2J5Z-GAL/2J5Z-GAL_ligand.pdbqt | data/2J/2J5Z-GAL/2J5Z-GAL_target.pdbqt | data/2J/2J5Z-GAL/2J5Z-GAL_decoys.pdbqt | data/2J/2J5Z-GAL/2J5Z-GAL_decoy_scores.csv |
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