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 ⌀ |
|---|---|---|---|---|
1M9Q-5NI | data/1M/1M9Q-5NI/1M9Q-5NI_ligand.pdbqt | data/1M/1M9Q-5NI/1M9Q-5NI_target.pdbqt | data/1M/1M9Q-5NI/1M9Q-5NI_decoys.pdbqt | data/1M/1M9Q-5NI/1M9Q-5NI_decoy_scores.csv |
1MFP-NAD | data/1M/1MFP-NAD/1MFP-NAD_ligand.pdbqt | data/1M/1MFP-NAD/1MFP-NAD_target.pdbqt | data/1M/1MFP-NAD/1MFP-NAD_decoys.pdbqt | data/1M/1MFP-NAD/1MFP-NAD_decoy_scores.csv |
1M9N-XMP | data/1M/1M9N-XMP/1M9N-XMP_ligand.pdbqt | data/1M/1M9N-XMP/1M9N-XMP_target.pdbqt | data/1M/1M9N-XMP/1M9N-XMP_decoys.pdbqt | data/1M/1M9N-XMP/1M9N-XMP_decoy_scores.csv |
1MY2-AMQ | data/1M/1MY2-AMQ/1MY2-AMQ_ligand.pdbqt | data/1M/1MY2-AMQ/1MY2-AMQ_target.pdbqt | data/1M/1MY2-AMQ/1MY2-AMQ_decoys.pdbqt | data/1M/1MY2-AMQ/1MY2-AMQ_decoy_scores.csv |
1MQG-IWD | data/1M/1MQG-IWD/1MQG-IWD_ligand.pdbqt | data/1M/1MQG-IWD/1MQG-IWD_target.pdbqt | data/1M/1MQG-IWD/1MQG-IWD_decoys.pdbqt | data/1M/1MQG-IWD/1MQG-IWD_decoy_scores.csv |
1M9H-NAD | data/1M/1M9H-NAD/1M9H-NAD_ligand.pdbqt | data/1M/1M9H-NAD/1M9H-NAD_target.pdbqt | data/1M/1M9H-NAD/1M9H-NAD_decoys.pdbqt | data/1M/1M9H-NAD/1M9H-NAD_decoy_scores.csv |
1MAI-I3P | data/1M/1MAI-I3P/1MAI-I3P_ligand.pdbqt | data/1M/1MAI-I3P/1MAI-I3P_target.pdbqt | data/1M/1MAI-I3P/1MAI-I3P_decoys.pdbqt | data/1M/1MAI-I3P/1MAI-I3P_decoy_scores.csv |
1MVQ-MMA | data/1M/1MVQ-MMA/1MVQ-MMA_ligand.pdbqt | data/1M/1MVQ-MMA/1MVQ-MMA_target.pdbqt | data/1M/1MVQ-MMA/1MVQ-MMA_decoys.pdbqt | data/1M/1MVQ-MMA/1MVQ-MMA_decoy_scores.csv |
1MOR-G6P | data/1M/1MOR-G6P/1MOR-G6P_ligand.pdbqt | data/1M/1MOR-G6P/1MOR-G6P_target.pdbqt | data/1M/1MOR-G6P/1MOR-G6P_decoys.pdbqt | data/1M/1MOR-G6P/1MOR-G6P_decoy_scores.csv |
1MRQ-STR | data/1M/1MRQ-STR/1MRQ-STR_ligand.pdbqt | data/1M/1MRQ-STR/1MRQ-STR_target.pdbqt | data/1M/1MRQ-STR/1MRQ-STR_decoys.pdbqt | data/1M/1MRQ-STR/1MRQ-STR_decoy_scores.csv |
1M0L-LI1 | data/1M/1M0L-LI1/1M0L-LI1_ligand.pdbqt | data/1M/1M0L-LI1/1M0L-LI1_target.pdbqt | data/1M/1M0L-LI1/1M0L-LI1_decoys.pdbqt | data/1M/1M0L-LI1/1M0L-LI1_decoy_scores.csv |
1MB9-ATP | data/1M/1MB9-ATP/1MB9-ATP_ligand.pdbqt | data/1M/1MB9-ATP/1MB9-ATP_target.pdbqt | data/1M/1MB9-ATP/1MB9-ATP_decoys.pdbqt | data/1M/1MB9-ATP/1MB9-ATP_decoy_scores.csv |
1MBB-EEB | data/1M/1MBB-EEB/1MBB-EEB_ligand.pdbqt | data/1M/1MBB-EEB/1MBB-EEB_target.pdbqt | data/1M/1MBB-EEB/1MBB-EEB_decoys.pdbqt | data/1M/1MBB-EEB/1MBB-EEB_decoy_scores.csv |
1MMB-BAT | data/1M/1MMB-BAT/1MMB-BAT_ligand.pdbqt | data/1M/1MMB-BAT/1MMB-BAT_target.pdbqt | data/1M/1MMB-BAT/1MMB-BAT_decoys.pdbqt | data/1M/1MMB-BAT/1MMB-BAT_decoy_scores.csv |
1MU0-PHK | data/1M/1MU0-PHK/1MU0-PHK_ligand.pdbqt | data/1M/1MU0-PHK/1MU0-PHK_target.pdbqt | data/1M/1MU0-PHK/1MU0-PHK_decoys.pdbqt | data/1M/1MU0-PHK/1MU0-PHK_decoy_scores.csv |
1MEI-MOA | data/1M/1MEI-MOA/1MEI-MOA_ligand.pdbqt | data/1M/1MEI-MOA/1MEI-MOA_target.pdbqt | data/1M/1MEI-MOA/1MEI-MOA_decoys.pdbqt | data/1M/1MEI-MOA/1MEI-MOA_decoy_scores.csv |
1M6W-12H | data/1M/1M6W-12H/1M6W-12H_ligand.pdbqt | data/1M/1M6W-12H/1M6W-12H_target.pdbqt | data/1M/1M6W-12H/1M6W-12H_decoys.pdbqt | data/1M/1M6W-12H/1M6W-12H_decoy_scores.csv |
1MS7-SHI | data/1M/1MS7-SHI/1MS7-SHI_ligand.pdbqt | data/1M/1MS7-SHI/1MS7-SHI_target.pdbqt | data/1M/1MS7-SHI/1MS7-SHI_decoys.pdbqt | data/1M/1MS7-SHI/1MS7-SHI_decoy_scores.csv |
1M2T-FUC | data/1M/1M2T-FUC/1M2T-FUC_ligand.pdbqt | data/1M/1M2T-FUC/1M2T-FUC_target.pdbqt | data/1M/1M2T-FUC/1M2T-FUC_decoys.pdbqt | data/1M/1M2T-FUC/1M2T-FUC_decoy_scores.csv |
1MMT-H4B | data/1M/1MMT-H4B/1MMT-H4B_ligand.pdbqt | data/1M/1MMT-H4B/1MMT-H4B_target.pdbqt | data/1M/1MMT-H4B/1MMT-H4B_decoys.pdbqt | data/1M/1MMT-H4B/1MMT-H4B_decoy_scores.csv |
1M0M-SQU | data/1M/1M0M-SQU/1M0M-SQU_ligand.pdbqt | data/1M/1M0M-SQU/1M0M-SQU_target.pdbqt | data/1M/1M0M-SQU/1M0M-SQU_decoys.pdbqt | data/1M/1M0M-SQU/1M0M-SQU_decoy_scores.csv |
1MC1-PCX | data/1M/1MC1-PCX/1MC1-PCX_ligand.pdbqt | data/1M/1MC1-PCX/1MC1-PCX_target.pdbqt | data/1M/1MC1-PCX/1MC1-PCX_decoys.pdbqt | data/1M/1MC1-PCX/1MC1-PCX_decoy_scores.csv |
1MDC-PLM | data/1M/1MDC-PLM/1MDC-PLM_ligand.pdbqt | data/1M/1MDC-PLM/1MDC-PLM_target.pdbqt | data/1M/1MDC-PLM/1MDC-PLM_decoys.pdbqt | data/1M/1MDC-PLM/1MDC-PLM_decoy_scores.csv |
1M0K-LI1 | data/1M/1M0K-LI1/1M0K-LI1_ligand.pdbqt | data/1M/1M0K-LI1/1M0K-LI1_target.pdbqt | data/1M/1M0K-LI1/1M0K-LI1_decoys.pdbqt | data/1M/1M0K-LI1/1M0K-LI1_decoy_scores.csv |
1ML6-GBX | data/1M/1ML6-GBX/1ML6-GBX_ligand.pdbqt | data/1M/1ML6-GBX/1ML6-GBX_target.pdbqt | data/1M/1ML6-GBX/1ML6-GBX_decoys.pdbqt | data/1M/1ML6-GBX/1ML6-GBX_decoy_scores.csv |
1MMD-ADP | data/1M/1MMD-ADP/1MMD-ADP_ligand.pdbqt | data/1M/1MMD-ADP/1MMD-ADP_target.pdbqt | null | null |
1MEZ-2SA | data/1M/1MEZ-2SA/1MEZ-2SA_ligand.pdbqt | data/1M/1MEZ-2SA/1MEZ-2SA_target.pdbqt | data/1M/1MEZ-2SA/1MEZ-2SA_decoys.pdbqt | data/1M/1MEZ-2SA/1MEZ-2SA_decoy_scores.csv |
1M1N-HCA | data/1M/1M1N-HCA/1M1N-HCA_ligand.pdbqt | data/1M/1M1N-HCA/1M1N-HCA_target.pdbqt | null | null |
1MDL-RMN | data/1M/1MDL-RMN/1MDL-RMN_ligand.pdbqt | data/1M/1MDL-RMN/1MDL-RMN_target.pdbqt | data/1M/1MDL-RMN/1MDL-RMN_decoys.pdbqt | data/1M/1MDL-RMN/1MDL-RMN_decoy_scores.csv |
1MMR-SRS | data/1M/1MMR-SRS/1MMR-SRS_ligand.pdbqt | data/1M/1MMR-SRS/1MMR-SRS_target.pdbqt | data/1M/1MMR-SRS/1MMR-SRS_decoys.pdbqt | data/1M/1MMR-SRS/1MMR-SRS_decoy_scores.csv |
1M0K-RET | data/1M/1M0K-RET/1M0K-RET_ligand.pdbqt | data/1M/1M0K-RET/1M0K-RET_target.pdbqt | data/1M/1M0K-RET/1M0K-RET_decoys.pdbqt | data/1M/1M0K-RET/1M0K-RET_decoy_scores.csv |
1MDL-SMN | data/1M/1MDL-SMN/1MDL-SMN_ligand.pdbqt | data/1M/1MDL-SMN/1MDL-SMN_target.pdbqt | data/1M/1MDL-SMN/1MDL-SMN_decoys.pdbqt | data/1M/1MDL-SMN/1MDL-SMN_decoy_scores.csv |
1MTU-BX3 | data/1M/1MTU-BX3/1MTU-BX3_ligand.pdbqt | data/1M/1MTU-BX3/1MTU-BX3_target.pdbqt | data/1M/1MTU-BX3/1MTU-BX3_decoys.pdbqt | data/1M/1MTU-BX3/1MTU-BX3_decoy_scores.csv |
1M2J-APR | data/1M/1M2J-APR/1M2J-APR_ligand.pdbqt | data/1M/1M2J-APR/1M2J-APR_target.pdbqt | data/1M/1M2J-APR/1M2J-APR_decoys.pdbqt | data/1M/1M2J-APR/1M2J-APR_decoy_scores.csv |
1MRS-5HU | data/1M/1MRS-5HU/1MRS-5HU_ligand.pdbqt | data/1M/1MRS-5HU/1MRS-5HU_target.pdbqt | data/1M/1MRS-5HU/1MRS-5HU_decoys.pdbqt | data/1M/1MRS-5HU/1MRS-5HU_decoy_scores.csv |
1M0L-RET | data/1M/1M0L-RET/1M0L-RET_ligand.pdbqt | data/1M/1M0L-RET/1M0L-RET_target.pdbqt | data/1M/1M0L-RET/1M0L-RET_decoys.pdbqt | data/1M/1M0L-RET/1M0L-RET_decoy_scores.csv |
1MGY-LI1 | data/1M/1MGY-LI1/1MGY-LI1_ligand.pdbqt | data/1M/1MGY-LI1/1MGY-LI1_target.pdbqt | data/1M/1MGY-LI1/1MGY-LI1_decoys.pdbqt | data/1M/1MGY-LI1/1MGY-LI1_decoy_scores.csv |
1MTB-DIQ | data/1M/1MTB-DIQ/1MTB-DIQ_ligand.pdbqt | data/1M/1MTB-DIQ/1MTB-DIQ_target.pdbqt | data/1M/1MTB-DIQ/1MTB-DIQ_decoys.pdbqt | data/1M/1MTB-DIQ/1MTB-DIQ_decoy_scores.csv |
1MVS-DTM | data/1M/1MVS-DTM/1MVS-DTM_ligand.pdbqt | data/1M/1MVS-DTM/1MVS-DTM_target.pdbqt | data/1M/1MVS-DTM/1MVS-DTM_decoys.pdbqt | data/1M/1MVS-DTM/1MVS-DTM_decoy_scores.csv |
1MEP-BTN | data/1M/1MEP-BTN/1MEP-BTN_ligand.pdbqt | data/1M/1MEP-BTN/1MEP-BTN_target.pdbqt | data/1M/1MEP-BTN/1MEP-BTN_decoys.pdbqt | data/1M/1MEP-BTN/1MEP-BTN_decoy_scores.csv |
1MKA-DAC | data/1M/1MKA-DAC/1MKA-DAC_ligand.pdbqt | data/1M/1MKA-DAC/1MKA-DAC_target.pdbqt | data/1M/1MKA-DAC/1MKA-DAC_decoys.pdbqt | data/1M/1MKA-DAC/1MKA-DAC_decoy_scores.csv |
1MT6-SAH | data/1M/1MT6-SAH/1MT6-SAH_ligand.pdbqt | data/1M/1MT6-SAH/1MT6-SAH_target.pdbqt | data/1M/1MT6-SAH/1MT6-SAH_decoys.pdbqt | data/1M/1MT6-SAH/1MT6-SAH_decoy_scores.csv |
1ML3-NAD | data/1M/1ML3-NAD/1ML3-NAD_ligand.pdbqt | data/1M/1ML3-NAD/1ML3-NAD_target.pdbqt | data/1M/1ML3-NAD/1ML3-NAD_decoys.pdbqt | data/1M/1ML3-NAD/1ML3-NAD_decoy_scores.csv |
1MDB-AMP | data/1M/1MDB-AMP/1MDB-AMP_ligand.pdbqt | data/1M/1MDB-AMP/1MDB-AMP_target.pdbqt | data/1M/1MDB-AMP/1MDB-AMP_decoys.pdbqt | data/1M/1MDB-AMP/1MDB-AMP_decoy_scores.csv |
1MF0-GDP | data/1M/1MF0-GDP/1MF0-GDP_ligand.pdbqt | data/1M/1MF0-GDP/1MF0-GDP_target.pdbqt | data/1M/1MF0-GDP/1MF0-GDP_decoys.pdbqt | data/1M/1MF0-GDP/1MF0-GDP_decoy_scores.csv |
1MMW-H4B | data/1M/1MMW-H4B/1MMW-H4B_ligand.pdbqt | data/1M/1MMW-H4B/1MMW-H4B_target.pdbqt | data/1M/1MMW-H4B/1MMW-H4B_decoys.pdbqt | data/1M/1MMW-H4B/1MMW-H4B_decoy_scores.csv |
1MNC-PLH | data/1M/1MNC-PLH/1MNC-PLH_ligand.pdbqt | data/1M/1MNC-PLH/1MNC-PLH_target.pdbqt | data/1M/1MNC-PLH/1MNC-PLH_decoys.pdbqt | data/1M/1MNC-PLH/1MNC-PLH_decoy_scores.csv |
1MZM-PLM | data/1M/1MZM-PLM/1MZM-PLM_ligand.pdbqt | data/1M/1MZM-PLM/1MZM-PLM_target.pdbqt | data/1M/1MZM-PLM/1MZM-PLM_decoys.pdbqt | data/1M/1MZM-PLM/1MZM-PLM_decoy_scores.csv |
1M4N-AAD | data/1M/1M4N-AAD/1M4N-AAD_ligand.pdbqt | data/1M/1M4N-AAD/1M4N-AAD_target.pdbqt | data/1M/1M4N-AAD/1M4N-AAD_decoys.pdbqt | data/1M/1M4N-AAD/1M4N-AAD_decoy_scores.csv |
1M7Z-THG | data/1M/1M7Z-THG/1M7Z-THG_ligand.pdbqt | data/1M/1M7Z-THG/1M7Z-THG_target.pdbqt | data/1M/1M7Z-THG/1M7Z-THG_decoys.pdbqt | data/1M/1M7Z-THG/1M7Z-THG_decoy_scores.csv |
1MP3-TTP | data/1M/1MP3-TTP/1MP3-TTP_ligand.pdbqt | data/1M/1MP3-TTP/1MP3-TTP_target.pdbqt | data/1M/1MP3-TTP/1MP3-TTP_decoys.pdbqt | data/1M/1MP3-TTP/1MP3-TTP_decoy_scores.csv |
1MGY-RET | data/1M/1MGY-RET/1MGY-RET_ligand.pdbqt | data/1M/1MGY-RET/1MGY-RET_target.pdbqt | data/1M/1MGY-RET/1MGY-RET_decoys.pdbqt | data/1M/1MGY-RET/1MGY-RET_decoy_scores.csv |
1MQ4-ADP | data/1M/1MQ4-ADP/1MQ4-ADP_ligand.pdbqt | data/1M/1MQ4-ADP/1MQ4-ADP_target.pdbqt | data/1M/1MQ4-ADP/1MQ4-ADP_decoys.pdbqt | data/1M/1MQ4-ADP/1MQ4-ADP_decoy_scores.csv |
1M2T-ADE | data/1M/1M2T-ADE/1M2T-ADE_ligand.pdbqt | data/1M/1M2T-ADE/1M2T-ADE_target.pdbqt | data/1M/1M2T-ADE/1M2T-ADE_decoys.pdbqt | data/1M/1M2T-ADE/1M2T-ADE_decoy_scores.csv |
1M4A-MPE | data/1M/1M4A-MPE/1M4A-MPE_ligand.pdbqt | data/1M/1M4A-MPE/1M4A-MPE_target.pdbqt | data/1M/1M4A-MPE/1M4A-MPE_decoys.pdbqt | data/1M/1M4A-MPE/1M4A-MPE_decoy_scores.csv |
1M83-ATP | data/1M/1M83-ATP/1M83-ATP_ligand.pdbqt | data/1M/1M83-ATP/1M83-ATP_target.pdbqt | data/1M/1M83-ATP/1M83-ATP_decoys.pdbqt | data/1M/1M83-ATP/1M83-ATP_decoy_scores.csv |
1MM7-QUS | data/1M/1MM7-QUS/1MM7-QUS_ligand.pdbqt | data/1M/1MM7-QUS/1MM7-QUS_target.pdbqt | data/1M/1MM7-QUS/1MM7-QUS_decoys.pdbqt | data/1M/1MM7-QUS/1MM7-QUS_decoy_scores.csv |
5ADI-TUE | data/5A/5ADI-TUE/5ADI-TUE_ligand.pdbqt | data/5A/5ADI-TUE/5ADI-TUE_target.pdbqt | data/5A/5ADI-TUE/5ADI-TUE_decoys.pdbqt | data/5A/5ADI-TUE/5ADI-TUE_decoy_scores.csv |
5AXD-RBV | data/5A/5AXD-RBV/5AXD-RBV_ligand.pdbqt | data/5A/5AXD-RBV/5AXD-RBV_target.pdbqt | data/5A/5AXD-RBV/5AXD-RBV_decoys.pdbqt | data/5A/5AXD-RBV/5AXD-RBV_decoy_scores.csv |
5ADK-7M3 | data/5A/5ADK-7M3/5ADK-7M3_ligand.pdbqt | data/5A/5ADK-7M3/5ADK-7M3_target.pdbqt | null | null |
5AEG-B9D | data/5A/5AEG-B9D/5AEG-B9D_ligand.pdbqt | data/5A/5AEG-B9D/5AEG-B9D_target.pdbqt | data/5A/5AEG-B9D/5AEG-B9D_decoys.pdbqt | data/5A/5AEG-B9D/5AEG-B9D_decoy_scores.csv |
5ADC-TUE | data/5A/5ADC-TUE/5ADC-TUE_ligand.pdbqt | data/5A/5ADC-TUE/5ADC-TUE_target.pdbqt | data/5A/5ADC-TUE/5ADC-TUE_decoys.pdbqt | data/5A/5ADC-TUE/5ADC-TUE_decoy_scores.csv |
5A2W-AGS | data/5A/5A2W-AGS/5A2W-AGS_ligand.pdbqt | data/5A/5A2W-AGS/5A2W-AGS_target.pdbqt | data/5A/5A2W-AGS/5A2W-AGS_decoys.pdbqt | data/5A/5A2W-AGS/5A2W-AGS_decoy_scores.csv |
5AKX-8NY | data/5A/5AKX-8NY/5AKX-8NY_ligand.pdbqt | data/5A/5AKX-8NY/5AKX-8NY_target.pdbqt | data/5A/5AKX-8NY/5AKX-8NY_decoys.pdbqt | data/5A/5AKX-8NY/5AKX-8NY_decoy_scores.csv |
5AGY-4NM | data/5A/5AGY-4NM/5AGY-4NM_ligand.pdbqt | data/5A/5AGY-4NM/5AGY-4NM_target.pdbqt | data/5A/5AGY-4NM/5AGY-4NM_decoys.pdbqt | data/5A/5AGY-4NM/5AGY-4NM_decoy_scores.csv |
5AIX-KRX | data/5A/5AIX-KRX/5AIX-KRX_ligand.pdbqt | data/5A/5AIX-KRX/5AIX-KRX_target.pdbqt | data/5A/5AIX-KRX/5AIX-KRX_decoys.pdbqt | data/5A/5AIX-KRX/5AIX-KRX_decoy_scores.csv |
5A1S-UND | data/5A/5A1S-UND/5A1S-UND_ligand.pdbqt | data/5A/5A1S-UND/5A1S-UND_target.pdbqt | data/5A/5A1S-UND/5A1S-UND_decoys.pdbqt | data/5A/5A1S-UND/5A1S-UND_decoy_scores.csv |
5AG3-3EB | data/5A/5AG3-3EB/5AG3-3EB_ligand.pdbqt | data/5A/5AG3-3EB/5AG3-3EB_target.pdbqt | data/5A/5AG3-3EB/5AG3-3EB_decoys.pdbqt | data/5A/5AG3-3EB/5AG3-3EB_decoy_scores.csv |
5AAL-8L8 | data/5A/5AAL-8L8/5AAL-8L8_ligand.pdbqt | data/5A/5AAL-8L8/5AAL-8L8_target.pdbqt | data/5A/5AAL-8L8/5AAL-8L8_decoys.pdbqt | data/5A/5AAL-8L8/5AAL-8L8_decoy_scores.csv |
5AP0-P4C | data/5A/5AP0-P4C/5AP0-P4C_ligand.pdbqt | data/5A/5AP0-P4C/5AP0-P4C_target.pdbqt | data/5A/5AP0-P4C/5AP0-P4C_decoys.pdbqt | data/5A/5AP0-P4C/5AP0-P4C_decoy_scores.csv |
5A60-3PO | data/5A/5A60-3PO/5A60-3PO_ligand.pdbqt | data/5A/5A60-3PO/5A60-3PO_target.pdbqt | data/5A/5A60-3PO/5A60-3PO_decoys.pdbqt | data/5A/5A60-3PO/5A60-3PO_decoy_scores.csv |
5AQZ-SGV | data/5A/5AQZ-SGV/5AQZ-SGV_ligand.pdbqt | data/5A/5AQZ-SGV/5AQZ-SGV_target.pdbqt | data/5A/5AQZ-SGV/5AQZ-SGV_decoys.pdbqt | data/5A/5AQZ-SGV/5AQZ-SGV_decoy_scores.csv |
5AX0-R16 | data/5A/5AX0-R16/5AX0-R16_ligand.pdbqt | data/5A/5AX0-R16/5AX0-R16_target.pdbqt | data/5A/5AX0-R16/5AX0-R16_decoys.pdbqt | data/5A/5AX0-R16/5AX0-R16_decoy_scores.csv |
5AUI-BEN | data/5A/5AUI-BEN/5AUI-BEN_ligand.pdbqt | data/5A/5AUI-BEN/5AUI-BEN_target.pdbqt | data/5A/5AUI-BEN/5AUI-BEN_decoys.pdbqt | data/5A/5AUI-BEN/5AUI-BEN_decoy_scores.csv |
5AGL-CCW | data/5A/5AGL-CCW/5AGL-CCW_ligand.pdbqt | data/5A/5AGL-CCW/5AGL-CCW_target.pdbqt | data/5A/5AGL-CCW/5AGL-CCW_decoys.pdbqt | data/5A/5AGL-CCW/5AGL-CCW_decoy_scores.csv |
5ADU-LMT | data/5A/5ADU-LMT/5ADU-LMT_ligand.pdbqt | data/5A/5ADU-LMT/5ADU-LMT_target.pdbqt | data/5A/5ADU-LMT/5ADU-LMT_decoys.pdbqt | data/5A/5ADU-LMT/5ADU-LMT_decoy_scores.csv |
5AM6-38O | data/5A/5AM6-38O/5AM6-38O_ligand.pdbqt | data/5A/5AM6-38O/5AM6-38O_target.pdbqt | data/5A/5AM6-38O/5AM6-38O_decoys.pdbqt | data/5A/5AM6-38O/5AM6-38O_decoy_scores.csv |
5AOI-RZH | data/5A/5AOI-RZH/5AOI-RZH_ligand.pdbqt | data/5A/5AOI-RZH/5AOI-RZH_target.pdbqt | data/5A/5AOI-RZH/5AOI-RZH_decoys.pdbqt | data/5A/5AOI-RZH/5AOI-RZH_decoy_scores.csv |
5A81-78J | data/5A/5A81-78J/5A81-78J_ligand.pdbqt | data/5A/5A81-78J/5A81-78J_target.pdbqt | data/5A/5A81-78J/5A81-78J_decoys.pdbqt | data/5A/5A81-78J/5A81-78J_decoy_scores.csv |
5AL5-JL9 | data/5A/5AL5-JL9/5AL5-JL9_ligand.pdbqt | data/5A/5AL5-JL9/5AL5-JL9_target.pdbqt | data/5A/5AL5-JL9/5AL5-JL9_decoys.pdbqt | data/5A/5AL5-JL9/5AL5-JL9_decoy_scores.csv |
5AN7-LLK | data/5A/5AN7-LLK/5AN7-LLK_ligand.pdbqt | data/5A/5AN7-LLK/5AN7-LLK_target.pdbqt | data/5A/5AN7-LLK/5AN7-LLK_decoys.pdbqt | data/5A/5AN7-LLK/5AN7-LLK_decoy_scores.csv |
5AJW-F6P | data/5A/5AJW-F6P/5AJW-F6P_ligand.pdbqt | data/5A/5AJW-F6P/5AJW-F6P_target.pdbqt | data/5A/5AJW-F6P/5AJW-F6P_decoys.pdbqt | data/5A/5AJW-F6P/5AJW-F6P_decoy_scores.csv |
5A93-CEF | data/5A/5A93-CEF/5A93-CEF_ligand.pdbqt | data/5A/5A93-CEF/5A93-CEF_target.pdbqt | null | null |
5ADB-XEB | data/5A/5ADB-XEB/5ADB-XEB_ligand.pdbqt | data/5A/5ADB-XEB/5ADB-XEB_target.pdbqt | data/5A/5ADB-XEB/5ADB-XEB_decoys.pdbqt | data/5A/5ADB-XEB/5ADB-XEB_decoy_scores.csv |
5AI1-EQU | data/5A/5AI1-EQU/5AI1-EQU_ligand.pdbqt | data/5A/5AI1-EQU/5AI1-EQU_target.pdbqt | data/5A/5AI1-EQU/5AI1-EQU_decoys.pdbqt | data/5A/5AI1-EQU/5AI1-EQU_decoy_scores.csv |
5A57-GAL | data/5A/5A57-GAL/5A57-GAL_ligand.pdbqt | data/5A/5A57-GAL/5A57-GAL_target.pdbqt | data/5A/5A57-GAL/5A57-GAL_decoys.pdbqt | data/5A/5A57-GAL/5A57-GAL_decoy_scores.csv |
5ABG-V0N | data/5A/5ABG-V0N/5ABG-V0N_ligand.pdbqt | data/5A/5ABG-V0N/5ABG-V0N_target.pdbqt | data/5A/5ABG-V0N/5ABG-V0N_decoys.pdbqt | data/5A/5ABG-V0N/5ABG-V0N_decoy_scores.csv |
5AFJ-L0B | data/5A/5AFJ-L0B/5AFJ-L0B_ligand.pdbqt | data/5A/5AFJ-L0B/5AFJ-L0B_target.pdbqt | data/5A/5AFJ-L0B/5AFJ-L0B_decoys.pdbqt | data/5A/5AFJ-L0B/5AFJ-L0B_decoy_scores.csv |
5ADA-H4B | data/5A/5ADA-H4B/5ADA-H4B_ligand.pdbqt | data/5A/5ADA-H4B/5ADA-H4B_target.pdbqt | data/5A/5ADA-H4B/5ADA-H4B_decoys.pdbqt | data/5A/5ADA-H4B/5ADA-H4B_decoy_scores.csv |
5A2M-WX5 | data/5A/5A2M-WX5/5A2M-WX5_ligand.pdbqt | data/5A/5A2M-WX5/5A2M-WX5_target.pdbqt | data/5A/5A2M-WX5/5A2M-WX5_decoys.pdbqt | data/5A/5A2M-WX5/5A2M-WX5_decoy_scores.csv |
5A5L-VTB | data/5A/5A5L-VTB/5A5L-VTB_ligand.pdbqt | data/5A/5A5L-VTB/5A5L-VTB_target.pdbqt | data/5A/5A5L-VTB/5A5L-VTB_decoys.pdbqt | data/5A/5A5L-VTB/5A5L-VTB_decoy_scores.csv |
5A67-3PO | data/5A/5A67-3PO/5A67-3PO_ligand.pdbqt | data/5A/5A67-3PO/5A67-3PO_target.pdbqt | data/5A/5A67-3PO/5A67-3PO_decoys.pdbqt | data/5A/5A67-3PO/5A67-3PO_decoy_scores.csv |
5AWM-ANP | data/5A/5AWM-ANP/5AWM-ANP_ligand.pdbqt | data/5A/5AWM-ANP/5AWM-ANP_target.pdbqt | data/5A/5AWM-ANP/5AWM-ANP_decoys.pdbqt | data/5A/5AWM-ANP/5AWM-ANP_decoy_scores.csv |
5ADG-H4B | data/5A/5ADG-H4B/5ADG-H4B_ligand.pdbqt | data/5A/5ADG-H4B/5ADG-H4B_target.pdbqt | data/5A/5ADG-H4B/5ADG-H4B_decoys.pdbqt | data/5A/5ADG-H4B/5ADG-H4B_decoy_scores.csv |
5AD7-H4B | data/5A/5AD7-H4B/5AD7-H4B_ligand.pdbqt | data/5A/5AD7-H4B/5AD7-H4B_target.pdbqt | data/5A/5AD7-H4B/5AD7-H4B_decoys.pdbqt | data/5A/5AD7-H4B/5AD7-H4B_decoy_scores.csv |
5AL1-GN5 | data/5A/5AL1-GN5/5AL1-GN5_ligand.pdbqt | data/5A/5AL1-GN5/5AL1-GN5_target.pdbqt | data/5A/5AL1-GN5/5AL1-GN5_decoys.pdbqt | data/5A/5AL1-GN5/5AL1-GN5_decoy_scores.csv |
5A03-XYS | data/5A/5A03-XYS/5A03-XYS_ligand.pdbqt | data/5A/5A03-XYS/5A03-XYS_target.pdbqt | data/5A/5A03-XYS/5A03-XYS_decoys.pdbqt | data/5A/5A03-XYS/5A03-XYS_decoy_scores.csv |
5ADD-M85 | data/5A/5ADD-M85/5ADD-M85_ligand.pdbqt | data/5A/5ADD-M85/5ADD-M85_target.pdbqt | data/5A/5ADD-M85/5ADD-M85_decoys.pdbqt | data/5A/5ADD-M85/5ADD-M85_decoy_scores.csv |
5AI4-4VY | data/5A/5AI4-4VY/5AI4-4VY_ligand.pdbqt | data/5A/5AI4-4VY/5AI4-4VY_target.pdbqt | data/5A/5AI4-4VY/5AI4-4VY_decoys.pdbqt | data/5A/5AI4-4VY/5AI4-4VY_decoy_scores.csv |
5A66-3PO | data/5A/5A66-3PO/5A66-3PO_ligand.pdbqt | data/5A/5A66-3PO/5A66-3PO_target.pdbqt | data/5A/5A66-3PO/5A66-3PO_decoys.pdbqt | data/5A/5A66-3PO/5A66-3PO_decoy_scores.csv |
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