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 ⌀ |
|---|---|---|---|---|
5MBX-SP5 | data/5M/5MBX-SP5/5MBX-SP5_ligand.pdbqt | data/5M/5MBX-SP5/5MBX-SP5_target.pdbqt | data/5M/5MBX-SP5/5MBX-SP5_decoys.pdbqt | data/5M/5MBX-SP5/5MBX-SP5_decoy_scores.csv |
5MO4-NIL | data/5M/5MO4-NIL/5MO4-NIL_ligand.pdbqt | data/5M/5MO4-NIL/5MO4-NIL_target.pdbqt | data/5M/5MO4-NIL/5MO4-NIL_decoys.pdbqt | data/5M/5MO4-NIL/5MO4-NIL_decoy_scores.csv |
5M2F-UV8 | data/5M/5M2F-UV8/5M2F-UV8_ligand.pdbqt | data/5M/5M2F-UV8/5M2F-UV8_target.pdbqt | data/5M/5M2F-UV8/5M2F-UV8_decoys.pdbqt | data/5M/5M2F-UV8/5M2F-UV8_decoy_scores.csv |
5MLZ-LDA | data/5M/5MLZ-LDA/5MLZ-LDA_ligand.pdbqt | data/5M/5MLZ-LDA/5MLZ-LDA_target.pdbqt | data/5M/5MLZ-LDA/5MLZ-LDA_decoys.pdbqt | data/5M/5MLZ-LDA/5MLZ-LDA_decoy_scores.csv |
5MI5-7NQ | data/5M/5MI5-7NQ/5MI5-7NQ_ligand.pdbqt | data/5M/5MI5-7NQ/5MI5-7NQ_target.pdbqt | data/5M/5MI5-7NQ/5MI5-7NQ_decoys.pdbqt | data/5M/5MI5-7NQ/5MI5-7NQ_decoy_scores.csv |
5MWD-TJ3 | data/5M/5MWD-TJ3/5MWD-TJ3_ligand.pdbqt | data/5M/5MWD-TJ3/5MWD-TJ3_target.pdbqt | data/5M/5MWD-TJ3/5MWD-TJ3_decoys.pdbqt | data/5M/5MWD-TJ3/5MWD-TJ3_decoy_scores.csv |
5MCP-ATP | data/5M/5MCP-ATP/5MCP-ATP_ligand.pdbqt | data/5M/5MCP-ATP/5MCP-ATP_target.pdbqt | data/5M/5MCP-ATP/5MCP-ATP_decoys.pdbqt | data/5M/5MCP-ATP/5MCP-ATP_decoy_scores.csv |
5MFW-KAI | data/5M/5MFW-KAI/5MFW-KAI_ligand.pdbqt | data/5M/5MFW-KAI/5MFW-KAI_target.pdbqt | data/5M/5MFW-KAI/5MFW-KAI_decoys.pdbqt | data/5M/5MFW-KAI/5MFW-KAI_decoy_scores.csv |
5MMF-JMB | data/5M/5MMF-JMB/5MMF-JMB_ligand.pdbqt | data/5M/5MMF-JMB/5MMF-JMB_target.pdbqt | data/5M/5MMF-JMB/5MMF-JMB_decoys.pdbqt | data/5M/5MMF-JMB/5MMF-JMB_decoy_scores.csv |
5M7E-ACP | data/5M/5M7E-ACP/5M7E-ACP_ligand.pdbqt | data/5M/5M7E-ACP/5M7E-ACP_target.pdbqt | data/5M/5M7E-ACP/5M7E-ACP_decoys.pdbqt | data/5M/5M7E-ACP/5M7E-ACP_decoy_scores.csv |
5MYL-Q2N | data/5M/5MYL-Q2N/5MYL-Q2N_ligand.pdbqt | data/5M/5MYL-Q2N/5MYL-Q2N_target.pdbqt | data/5M/5MYL-Q2N/5MYL-Q2N_decoys.pdbqt | data/5M/5MYL-Q2N/5MYL-Q2N_decoy_scores.csv |
5M21-PHB | data/5M/5M21-PHB/5M21-PHB_ligand.pdbqt | data/5M/5M21-PHB/5M21-PHB_target.pdbqt | data/5M/5M21-PHB/5M21-PHB_decoys.pdbqt | data/5M/5M21-PHB/5M21-PHB_decoy_scores.csv |
5MXK-ZHA | data/5M/5MXK-ZHA/5MXK-ZHA_ligand.pdbqt | data/5M/5MXK-ZHA/5MXK-ZHA_target.pdbqt | data/5M/5MXK-ZHA/5MXK-ZHA_decoys.pdbqt | data/5M/5MXK-ZHA/5MXK-ZHA_decoy_scores.csv |
5M67-3D1 | data/5M/5M67-3D1/5M67-3D1_ligand.pdbqt | data/5M/5M67-3D1/5M67-3D1_target.pdbqt | data/5M/5M67-3D1/5M67-3D1_decoys.pdbqt | data/5M/5M67-3D1/5M67-3D1_decoy_scores.csv |
5MQW-ATP | data/5M/5MQW-ATP/5MQW-ATP_ligand.pdbqt | data/5M/5MQW-ATP/5MQW-ATP_target.pdbqt | data/5M/5MQW-ATP/5MQW-ATP_decoys.pdbqt | data/5M/5MQW-ATP/5MQW-ATP_decoy_scores.csv |
5MW8-ATP | data/5M/5MW8-ATP/5MW8-ATP_ligand.pdbqt | data/5M/5MW8-ATP/5MW8-ATP_target.pdbqt | data/5M/5MW8-ATP/5MW8-ATP_decoys.pdbqt | data/5M/5MW8-ATP/5MW8-ATP_decoy_scores.csv |
5M0Y-P6G | data/5M/5M0Y-P6G/5M0Y-P6G_ligand.pdbqt | data/5M/5M0Y-P6G/5M0Y-P6G_target.pdbqt | data/5M/5M0Y-P6G/5M0Y-P6G_decoys.pdbqt | data/5M/5M0Y-P6G/5M0Y-P6G_decoy_scores.csv |
5MVV-ATP | data/5M/5MVV-ATP/5MVV-ATP_ligand.pdbqt | data/5M/5MVV-ATP/5MVV-ATP_target.pdbqt | data/5M/5MVV-ATP/5MVV-ATP_decoys.pdbqt | data/5M/5MVV-ATP/5MVV-ATP_decoy_scores.csv |
5M66-ADN | data/5M/5M66-ADN/5M66-ADN_ligand.pdbqt | data/5M/5M66-ADN/5M66-ADN_target.pdbqt | data/5M/5M66-ADN/5M66-ADN_decoys.pdbqt | data/5M/5M66-ADN/5M66-ADN_decoy_scores.csv |
5MBK-ATP | data/5M/5MBK-ATP/5MBK-ATP_ligand.pdbqt | data/5M/5MBK-ATP/5MBK-ATP_target.pdbqt | data/5M/5MBK-ATP/5MBK-ATP_decoys.pdbqt | data/5M/5MBK-ATP/5MBK-ATP_decoy_scores.csv |
5MVC-Y9B | data/5M/5MVC-Y9B/5MVC-Y9B_ligand.pdbqt | data/5M/5MVC-Y9B/5MVC-Y9B_target.pdbqt | data/5M/5MVC-Y9B/5MVC-Y9B_decoys.pdbqt | data/5M/5MVC-Y9B/5MVC-Y9B_decoy_scores.csv |
5MQW-GTP | data/5M/5MQW-GTP/5MQW-GTP_ligand.pdbqt | data/5M/5MQW-GTP/5MQW-GTP_target.pdbqt | data/5M/5MQW-GTP/5MQW-GTP_decoys.pdbqt | data/5M/5MQW-GTP/5MQW-GTP_decoy_scores.csv |
5MSA-3TV | data/5M/5MSA-3TV/5MSA-3TV_ligand.pdbqt | data/5M/5MSA-3TV/5MSA-3TV_target.pdbqt | data/5M/5MSA-3TV/5MSA-3TV_decoys.pdbqt | data/5M/5MSA-3TV/5MSA-3TV_decoy_scores.csv |
5MPJ-ADP | data/5M/5MPJ-ADP/5MPJ-ADP_ligand.pdbqt | data/5M/5MPJ-ADP/5MPJ-ADP_target.pdbqt | data/5M/5MPJ-ADP/5MPJ-ADP_decoys.pdbqt | data/5M/5MPJ-ADP/5MPJ-ADP_decoy_scores.csv |
5MJP-CYC | data/5M/5MJP-CYC/5MJP-CYC_ligand.pdbqt | data/5M/5MJP-CYC/5MJP-CYC_target.pdbqt | data/5M/5MJP-CYC/5MJP-CYC_decoys.pdbqt | data/5M/5MJP-CYC/5MJP-CYC_decoy_scores.csv |
5MM9-8SH | data/5M/5MM9-8SH/5MM9-8SH_ligand.pdbqt | data/5M/5MM9-8SH/5MM9-8SH_target.pdbqt | data/5M/5MM9-8SH/5MM9-8SH_decoys.pdbqt | data/5M/5MM9-8SH/5MM9-8SH_decoy_scores.csv |
5MNU-NXL | data/5M/5MNU-NXL/5MNU-NXL_ligand.pdbqt | data/5M/5MNU-NXL/5MNU-NXL_target.pdbqt | data/5M/5MNU-NXL/5MNU-NXL_decoys.pdbqt | data/5M/5MNU-NXL/5MNU-NXL_decoy_scores.csv |
5M3Z-PY6 | data/5M/5M3Z-PY6/5M3Z-PY6_ligand.pdbqt | data/5M/5M3Z-PY6/5M3Z-PY6_target.pdbqt | data/5M/5M3Z-PY6/5M3Z-PY6_decoys.pdbqt | data/5M/5M3Z-PY6/5M3Z-PY6_decoy_scores.csv |
5MTP-NAD | data/5M/5MTP-NAD/5MTP-NAD_ligand.pdbqt | data/5M/5MTP-NAD/5MTP-NAD_target.pdbqt | data/5M/5MTP-NAD/5MTP-NAD_decoys.pdbqt | data/5M/5MTP-NAD/5MTP-NAD_decoy_scores.csv |
5MAH-7KD | data/5M/5MAH-7KD/5MAH-7KD_ligand.pdbqt | data/5M/5MAH-7KD/5MAH-7KD_target.pdbqt | data/5M/5MAH-7KD/5MAH-7KD_decoys.pdbqt | data/5M/5MAH-7KD/5MAH-7KD_decoy_scores.csv |
5M7E-SD5 | data/5M/5M7E-SD5/5M7E-SD5_ligand.pdbqt | data/5M/5M7E-SD5/5M7E-SD5_target.pdbqt | data/5M/5M7E-SD5/5M7E-SD5_decoys.pdbqt | data/5M/5M7E-SD5/5M7E-SD5_decoy_scores.csv |
5M8Z-BEN | data/5M/5M8Z-BEN/5M8Z-BEN_ligand.pdbqt | data/5M/5M8Z-BEN/5M8Z-BEN_target.pdbqt | data/5M/5M8Z-BEN/5M8Z-BEN_decoys.pdbqt | data/5M/5M8Z-BEN/5M8Z-BEN_decoy_scores.csv |
5MT0-QJS | data/5M/5MT0-QJS/5MT0-QJS_ligand.pdbqt | data/5M/5MT0-QJS/5MT0-QJS_target.pdbqt | data/5M/5MT0-QJS/5MT0-QJS_decoys.pdbqt | data/5M/5MT0-QJS/5MT0-QJS_decoy_scores.csv |
5MZC-8EQ | data/5M/5MZC-8EQ/5MZC-8EQ_ligand.pdbqt | data/5M/5MZC-8EQ/5MZC-8EQ_target.pdbqt | data/5M/5MZC-8EQ/5MZC-8EQ_decoys.pdbqt | data/5M/5MZC-8EQ/5MZC-8EQ_decoy_scores.csv |
5MJL-NHE | data/5M/5MJL-NHE/5MJL-NHE_ligand.pdbqt | data/5M/5MJL-NHE/5MJL-NHE_target.pdbqt | data/5M/5MJL-NHE/5MJL-NHE_decoys.pdbqt | data/5M/5MJL-NHE/5MJL-NHE_decoy_scores.csv |
5M7D-GDU | data/5M/5M7D-GDU/5M7D-GDU_ligand.pdbqt | data/5M/5M7D-GDU/5M7D-GDU_target.pdbqt | data/5M/5M7D-GDU/5M7D-GDU_decoys.pdbqt | data/5M/5M7D-GDU/5M7D-GDU_decoy_scores.csv |
5MMR-H83 | data/5M/5MMR-H83/5MMR-H83_ligand.pdbqt | data/5M/5MMR-H83/5MMR-H83_target.pdbqt | data/5M/5MMR-H83/5MMR-H83_decoys.pdbqt | data/5M/5MMR-H83/5MMR-H83_decoy_scores.csv |
5MXH-GAL | data/5M/5MXH-GAL/5MXH-GAL_ligand.pdbqt | data/5M/5MXH-GAL/5MXH-GAL_target.pdbqt | data/5M/5MXH-GAL/5MXH-GAL_decoys.pdbqt | data/5M/5MXH-GAL/5MXH-GAL_decoy_scores.csv |
5M8U-BEN | data/5M/5M8U-BEN/5M8U-BEN_ligand.pdbqt | data/5M/5M8U-BEN/5M8U-BEN_target.pdbqt | data/5M/5M8U-BEN/5M8U-BEN_decoys.pdbqt | data/5M/5M8U-BEN/5M8U-BEN_decoy_scores.csv |
5MFT-7MF | data/5M/5MFT-7MF/5MFT-7MF_ligand.pdbqt | data/5M/5MFT-7MF/5MFT-7MF_target.pdbqt | data/5M/5MFT-7MF/5MFT-7MF_decoys.pdbqt | data/5M/5MFT-7MF/5MFT-7MF_decoy_scores.csv |
5MXM-3PG | data/5M/5MXM-3PG/5MXM-3PG_ligand.pdbqt | data/5M/5MXM-3PG/5MXM-3PG_target.pdbqt | data/5M/5MXM-3PG/5MXM-3PG_decoys.pdbqt | data/5M/5MXM-3PG/5MXM-3PG_decoy_scores.csv |
5M5A-KSA | data/5M/5M5A-KSA/5M5A-KSA_ligand.pdbqt | data/5M/5M5A-KSA/5M5A-KSA_target.pdbqt | data/5M/5M5A-KSA/5M5A-KSA_decoys.pdbqt | data/5M/5M5A-KSA/5M5A-KSA_decoy_scores.csv |
5M96-Q6Y | data/5M/5M96-Q6Y/5M96-Q6Y_ligand.pdbqt | data/5M/5M96-Q6Y/5M96-Q6Y_target.pdbqt | data/5M/5M96-Q6Y/5M96-Q6Y_decoys.pdbqt | data/5M/5M96-Q6Y/5M96-Q6Y_decoy_scores.csv |
5MRD-ATP | data/5M/5MRD-ATP/5MRD-ATP_ligand.pdbqt | data/5M/5MRD-ATP/5MRD-ATP_target.pdbqt | data/5M/5MRD-ATP/5MRD-ATP_decoys.pdbqt | data/5M/5MRD-ATP/5MRD-ATP_decoy_scores.csv |
5MZE-8DG | data/5M/5MZE-8DG/5MZE-8DG_ligand.pdbqt | data/5M/5MZE-8DG/5MZE-8DG_target.pdbqt | data/5M/5MZE-8DG/5MZE-8DG_decoys.pdbqt | data/5M/5MZE-8DG/5MZE-8DG_decoy_scores.csv |
5M8G-918 | data/5M/5M8G-918/5M8G-918_ligand.pdbqt | data/5M/5M8G-918/5M8G-918_target.pdbqt | data/5M/5M8G-918/5M8G-918_decoys.pdbqt | data/5M/5M8G-918/5M8G-918_decoy_scores.csv |
5MOE-IHP | data/5M/5MOE-IHP/5MOE-IHP_ligand.pdbqt | data/5M/5MOE-IHP/5MOE-IHP_target.pdbqt | data/5M/5MOE-IHP/5MOE-IHP_decoys.pdbqt | data/5M/5MOE-IHP/5MOE-IHP_decoy_scores.csv |
5M70-GDP | data/5M/5M70-GDP/5M70-GDP_ligand.pdbqt | data/5M/5M70-GDP/5M70-GDP_target.pdbqt | null | null |
5MYD-DUP | data/5M/5MYD-DUP/5MYD-DUP_ligand.pdbqt | data/5M/5MYD-DUP/5MYD-DUP_target.pdbqt | data/5M/5MYD-DUP/5MYD-DUP_decoys.pdbqt | data/5M/5MYD-DUP/5MYD-DUP_decoy_scores.csv |
5MK4-I5W | data/5M/5MK4-I5W/5MK4-I5W_ligand.pdbqt | data/5M/5MK4-I5W/5MK4-I5W_target.pdbqt | data/5M/5MK4-I5W/5MK4-I5W_decoys.pdbqt | data/5M/5MK4-I5W/5MK4-I5W_decoy_scores.csv |
5M82-CYC | data/5M/5M82-CYC/5M82-CYC_ligand.pdbqt | data/5M/5M82-CYC/5M82-CYC_target.pdbqt | data/5M/5M82-CYC/5M82-CYC_decoys.pdbqt | data/5M/5M82-CYC/5M82-CYC_decoy_scores.csv |
5MFS-7ML | data/5M/5MFS-7ML/5MFS-7ML_ligand.pdbqt | data/5M/5MFS-7ML/5MFS-7ML_target.pdbqt | data/5M/5MFS-7ML/5MFS-7ML_decoys.pdbqt | data/5M/5MFS-7ML/5MFS-7ML_decoy_scores.csv |
5MI8-GDP | data/5M/5MI8-GDP/5MI8-GDP_ligand.pdbqt | data/5M/5MI8-GDP/5MI8-GDP_target.pdbqt | data/5M/5MI8-GDP/5MI8-GDP_decoys.pdbqt | data/5M/5MI8-GDP/5MI8-GDP_decoy_scores.csv |
5MDH-NAD | data/5M/5MDH-NAD/5MDH-NAD_ligand.pdbqt | data/5M/5MDH-NAD/5MDH-NAD_target.pdbqt | data/5M/5MDH-NAD/5MDH-NAD_decoys.pdbqt | data/5M/5MDH-NAD/5MDH-NAD_decoy_scores.csv |
5MXW-ML1 | data/5M/5MXW-ML1/5MXW-ML1_ligand.pdbqt | data/5M/5MXW-ML1/5MXW-ML1_target.pdbqt | data/5M/5MXW-ML1/5MXW-ML1_decoys.pdbqt | data/5M/5MXW-ML1/5MXW-ML1_decoy_scores.csv |
5MX8-HPA | data/5M/5MX8-HPA/5MX8-HPA_ligand.pdbqt | data/5M/5MX8-HPA/5MX8-HPA_target.pdbqt | data/5M/5MX8-HPA/5MX8-HPA_decoys.pdbqt | data/5M/5MX8-HPA/5MX8-HPA_decoy_scores.csv |
5MAQ-ADP | data/5M/5MAQ-ADP/5MAQ-ADP_ligand.pdbqt | data/5M/5MAQ-ADP/5MAQ-ADP_target.pdbqt | data/5M/5MAQ-ADP/5MAQ-ADP_decoys.pdbqt | data/5M/5MAQ-ADP/5MAQ-ADP_decoy_scores.csv |
5M8W-BEN | data/5M/5M8W-BEN/5M8W-BEN_ligand.pdbqt | data/5M/5M8W-BEN/5M8W-BEN_target.pdbqt | data/5M/5M8W-BEN/5M8W-BEN_decoys.pdbqt | data/5M/5M8W-BEN/5M8W-BEN_decoy_scores.csv |
5MZK-OK1 | data/5M/5MZK-OK1/5MZK-OK1_ligand.pdbqt | data/5M/5MZK-OK1/5MZK-OK1_target.pdbqt | data/5M/5MZK-OK1/5MZK-OK1_decoys.pdbqt | data/5M/5MZK-OK1/5MZK-OK1_decoy_scores.csv |
5M0B-IQU | data/5M/5M0B-IQU/5M0B-IQU_ligand.pdbqt | data/5M/5M0B-IQU/5M0B-IQU_target.pdbqt | data/5M/5M0B-IQU/5M0B-IQU_decoys.pdbqt | data/5M/5M0B-IQU/5M0B-IQU_decoy_scores.csv |
5MWY-YNU | data/5M/5MWY-YNU/5MWY-YNU_ligand.pdbqt | data/5M/5MWY-YNU/5MWY-YNU_target.pdbqt | data/5M/5MWY-YNU/5MWY-YNU_decoys.pdbqt | data/5M/5MWY-YNU/5MWY-YNU_decoy_scores.csv |
5ML5-1VI | data/5M/5ML5-1VI/5ML5-1VI_ligand.pdbqt | data/5M/5ML5-1VI/5ML5-1VI_target.pdbqt | data/5M/5ML5-1VI/5ML5-1VI_decoys.pdbqt | data/5M/5ML5-1VI/5ML5-1VI_decoy_scores.csv |
5MJ5-7O0 | data/5M/5MJ5-7O0/5MJ5-7O0_ligand.pdbqt | data/5M/5MJ5-7O0/5MJ5-7O0_target.pdbqt | data/5M/5MJ5-7O0/5MJ5-7O0_decoys.pdbqt | data/5M/5MJ5-7O0/5MJ5-7O0_decoy_scores.csv |
5M0C-7CB | data/5M/5M0C-7CB/5M0C-7CB_ligand.pdbqt | data/5M/5M0C-7CB/5M0C-7CB_target.pdbqt | data/5M/5M0C-7CB/5M0C-7CB_decoys.pdbqt | data/5M/5M0C-7CB/5M0C-7CB_decoy_scores.csv |
5MIF-TRT | data/5M/5MIF-TRT/5MIF-TRT_ligand.pdbqt | data/5M/5MIF-TRT/5MIF-TRT_target.pdbqt | data/5M/5MIF-TRT/5MIF-TRT_decoys.pdbqt | data/5M/5MIF-TRT/5MIF-TRT_decoy_scores.csv |
5M79-U5P | data/5M/5M79-U5P/5M79-U5P_ligand.pdbqt | data/5M/5M79-U5P/5M79-U5P_target.pdbqt | data/5M/5M79-U5P/5M79-U5P_decoys.pdbqt | data/5M/5M79-U5P/5M79-U5P_decoy_scores.csv |
5MRK-SFG | data/5M/5MRK-SFG/5MRK-SFG_ligand.pdbqt | data/5M/5MRK-SFG/5MRK-SFG_target.pdbqt | data/5M/5MRK-SFG/5MRK-SFG_decoys.pdbqt | data/5M/5MRK-SFG/5MRK-SFG_decoy_scores.csv |
5M06-ADP | data/5M/5M06-ADP/5M06-ADP_ligand.pdbqt | data/5M/5M06-ADP/5M06-ADP_target.pdbqt | data/5M/5M06-ADP/5M06-ADP_decoys.pdbqt | data/5M/5M06-ADP/5M06-ADP_decoy_scores.csv |
5MPQ-NHE | data/5M/5MPQ-NHE/5MPQ-NHE_ligand.pdbqt | data/5M/5MPQ-NHE/5MPQ-NHE_target.pdbqt | data/5M/5MPQ-NHE/5MPQ-NHE_decoys.pdbqt | data/5M/5MPQ-NHE/5MPQ-NHE_decoy_scores.csv |
5MQV-D5Q | data/5M/5MQV-D5Q/5MQV-D5Q_ligand.pdbqt | data/5M/5MQV-D5Q/5MQV-D5Q_target.pdbqt | data/5M/5MQV-D5Q/5MQV-D5Q_decoys.pdbqt | data/5M/5MQV-D5Q/5MQV-D5Q_decoy_scores.csv |
5MT9-ARG | data/5M/5MT9-ARG/5MT9-ARG_ligand.pdbqt | data/5M/5MT9-ARG/5MT9-ARG_target.pdbqt | data/5M/5MT9-ARG/5MT9-ARG_decoys.pdbqt | data/5M/5MT9-ARG/5MT9-ARG_decoy_scores.csv |
5MXM-BTB | data/5M/5MXM-BTB/5MXM-BTB_ligand.pdbqt | data/5M/5MXM-BTB/5MXM-BTB_target.pdbqt | data/5M/5MXM-BTB/5MXM-BTB_decoys.pdbqt | data/5M/5MXM-BTB/5MXM-BTB_decoy_scores.csv |
5MB5-46P | data/5M/5MB5-46P/5MB5-46P_ligand.pdbqt | data/5M/5MB5-46P/5MB5-46P_target.pdbqt | data/5M/5MB5-46P/5MB5-46P_decoys.pdbqt | data/5M/5MB5-46P/5MB5-46P_decoy_scores.csv |
5M4E-7F9 | data/5M/5M4E-7F9/5M4E-7F9_ligand.pdbqt | data/5M/5M4E-7F9/5M4E-7F9_target.pdbqt | data/5M/5M4E-7F9/5M4E-7F9_decoys.pdbqt | data/5M/5M4E-7F9/5M4E-7F9_decoy_scores.csv |
5MVC-FMN | data/5M/5MVC-FMN/5MVC-FMN_ligand.pdbqt | data/5M/5MVC-FMN/5MVC-FMN_target.pdbqt | data/5M/5MVC-FMN/5MVC-FMN_decoys.pdbqt | data/5M/5MVC-FMN/5MVC-FMN_decoy_scores.csv |
5MYM-HYV | data/5M/5MYM-HYV/5MYM-HYV_ligand.pdbqt | data/5M/5MYM-HYV/5MYM-HYV_target.pdbqt | data/5M/5MYM-HYV/5MYM-HYV_decoys.pdbqt | data/5M/5MYM-HYV/5MYM-HYV_decoy_scores.csv |
5MSW-AMP | data/5M/5MSW-AMP/5MSW-AMP_ligand.pdbqt | data/5M/5MSW-AMP/5MSW-AMP_target.pdbqt | data/5M/5MSW-AMP/5MSW-AMP_decoys.pdbqt | data/5M/5MSW-AMP/5MSW-AMP_decoy_scores.csv |
5M5K-ADN | data/5M/5M5K-ADN/5M5K-ADN_ligand.pdbqt | data/5M/5M5K-ADN/5M5K-ADN_target.pdbqt | data/5M/5M5K-ADN/5M5K-ADN_decoys.pdbqt | data/5M/5M5K-ADN/5M5K-ADN_decoy_scores.csv |
5M1N-BTB | data/5M/5M1N-BTB/5M1N-BTB_ligand.pdbqt | data/5M/5M1N-BTB/5M1N-BTB_target.pdbqt | data/5M/5M1N-BTB/5M1N-BTB_decoys.pdbqt | data/5M/5M1N-BTB/5M1N-BTB_decoy_scores.csv |
5MKS-TI8 | data/5M/5MKS-TI8/5MKS-TI8_ligand.pdbqt | data/5M/5MKS-TI8/5MKS-TI8_target.pdbqt | data/5M/5MKS-TI8/5MKS-TI8_decoys.pdbqt | data/5M/5MKS-TI8/5MKS-TI8_decoy_scores.csv |
5M12-7D0 | data/5M/5M12-7D0/5M12-7D0_ligand.pdbqt | data/5M/5M12-7D0/5M12-7D0_target.pdbqt | data/5M/5M12-7D0/5M12-7D0_decoys.pdbqt | data/5M/5M12-7D0/5M12-7D0_decoy_scores.csv |
5MEL-7LQ | data/5M/5MEL-7LQ/5MEL-7LQ_ligand.pdbqt | data/5M/5MEL-7LQ/5MEL-7LQ_target.pdbqt | data/5M/5MEL-7LQ/5MEL-7LQ_decoys.pdbqt | data/5M/5MEL-7LQ/5MEL-7LQ_decoy_scores.csv |
5M7E-GTP | data/5M/5M7E-GTP/5M7E-GTP_ligand.pdbqt | data/5M/5M7E-GTP/5M7E-GTP_target.pdbqt | data/5M/5M7E-GTP/5M7E-GTP_decoys.pdbqt | data/5M/5M7E-GTP/5M7E-GTP_decoy_scores.csv |
5M42-FMN | data/5M/5M42-FMN/5M42-FMN_ligand.pdbqt | data/5M/5M42-FMN/5M42-FMN_target.pdbqt | data/5M/5M42-FMN/5M42-FMN_decoys.pdbqt | data/5M/5M42-FMN/5M42-FMN_decoy_scores.csv |
5MQE-PKU | data/5M/5MQE-PKU/5MQE-PKU_ligand.pdbqt | data/5M/5MQE-PKU/5MQE-PKU_target.pdbqt | data/5M/5MQE-PKU/5MQE-PKU_decoys.pdbqt | data/5M/5MQE-PKU/5MQE-PKU_decoy_scores.csv |
5MB7-4AV | data/5M/5MB7-4AV/5MB7-4AV_ligand.pdbqt | data/5M/5MB7-4AV/5MB7-4AV_target.pdbqt | data/5M/5MB7-4AV/5MB7-4AV_decoys.pdbqt | data/5M/5MB7-4AV/5MB7-4AV_decoy_scores.csv |
5MPZ-4I8 | data/5M/5MPZ-4I8/5MPZ-4I8_ligand.pdbqt | data/5M/5MPZ-4I8/5MPZ-4I8_target.pdbqt | data/5M/5MPZ-4I8/5MPZ-4I8_decoys.pdbqt | data/5M/5MPZ-4I8/5MPZ-4I8_decoy_scores.csv |
5M2T-URI | data/5M/5M2T-URI/5M2T-URI_ligand.pdbqt | data/5M/5M2T-URI/5M2T-URI_target.pdbqt | data/5M/5M2T-URI/5M2T-URI_decoys.pdbqt | data/5M/5M2T-URI/5M2T-URI_decoy_scores.csv |
5MOE-ADP | data/5M/5MOE-ADP/5MOE-ADP_ligand.pdbqt | data/5M/5MOE-ADP/5MOE-ADP_target.pdbqt | data/5M/5MOE-ADP/5MOE-ADP_decoys.pdbqt | data/5M/5MOE-ADP/5MOE-ADP_decoy_scores.csv |
5MN4-GDP | data/5M/5MN4-GDP/5MN4-GDP_ligand.pdbqt | data/5M/5MN4-GDP/5MN4-GDP_target.pdbqt | data/5M/5MN4-GDP/5MN4-GDP_decoys.pdbqt | data/5M/5MN4-GDP/5MN4-GDP_decoy_scores.csv |
5MUL-BDP | data/5M/5MUL-BDP/5MUL-BDP_ligand.pdbqt | data/5M/5MUL-BDP/5MUL-BDP_target.pdbqt | data/5M/5MUL-BDP/5MUL-BDP_decoys.pdbqt | data/5M/5MUL-BDP/5MUL-BDP_decoy_scores.csv |
5MAY-PK6 | data/5M/5MAY-PK6/5MAY-PK6_ligand.pdbqt | data/5M/5MAY-PK6/5MAY-PK6_target.pdbqt | data/5M/5MAY-PK6/5MAY-PK6_decoys.pdbqt | data/5M/5MAY-PK6/5MAY-PK6_decoy_scores.csv |
5MA7-7K0 | data/5M/5MA7-7K0/5MA7-7K0_ligand.pdbqt | data/5M/5MA7-7K0/5MA7-7K0_target.pdbqt | data/5M/5MA7-7K0/5MA7-7K0_decoys.pdbqt | data/5M/5MA7-7K0/5MA7-7K0_decoy_scores.csv |
5MF6-7M2 | data/5M/5MF6-7M2/5MF6-7M2_ligand.pdbqt | data/5M/5MF6-7M2/5MF6-7M2_target.pdbqt | data/5M/5MF6-7M2/5MF6-7M2_decoys.pdbqt | data/5M/5MF6-7M2/5MF6-7M2_decoy_scores.csv |
5MW6-RC0 | data/5M/5MW6-RC0/5MW6-RC0_ligand.pdbqt | data/5M/5MW6-RC0/5MW6-RC0_target.pdbqt | data/5M/5MW6-RC0/5MW6-RC0_decoys.pdbqt | data/5M/5MW6-RC0/5MW6-RC0_decoy_scores.csv |
5M7U-XHA | data/5M/5M7U-XHA/5M7U-XHA_ligand.pdbqt | data/5M/5M7U-XHA/5M7U-XHA_target.pdbqt | data/5M/5M7U-XHA/5M7U-XHA_decoys.pdbqt | data/5M/5M7U-XHA/5M7U-XHA_decoy_scores.csv |
5M9X-7KP | data/5M/5M9X-7KP/5M9X-7KP_ligand.pdbqt | data/5M/5M9X-7KP/5M9X-7KP_target.pdbqt | data/5M/5M9X-7KP/5M9X-7KP_decoys.pdbqt | data/5M/5M9X-7KP/5M9X-7KP_decoy_scores.csv |
5MME-8Q6 | data/5M/5MME-8Q6/5MME-8Q6_ligand.pdbqt | data/5M/5MME-8Q6/5MME-8Q6_target.pdbqt | data/5M/5MME-8Q6/5MME-8Q6_decoys.pdbqt | data/5M/5MME-8Q6/5MME-8Q6_decoy_scores.csv |
5MZI-FYK | data/5M/5MZI-FYK/5MZI-FYK_ligand.pdbqt | data/5M/5MZI-FYK/5MZI-FYK_target.pdbqt | data/5M/5MZI-FYK/5MZI-FYK_decoys.pdbqt | data/5M/5MZI-FYK/5MZI-FYK_decoy_scores.csv |
5MLJ-9ST | data/5M/5MLJ-9ST/5MLJ-9ST_ligand.pdbqt | data/5M/5MLJ-9ST/5MLJ-9ST_target.pdbqt | data/5M/5MLJ-9ST/5MLJ-9ST_decoys.pdbqt | data/5M/5MLJ-9ST/5MLJ-9ST_decoy_scores.csv |
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