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 ⌀ |
|---|---|---|---|---|
5AJU-RP5 | data/5A/5AJU-RP5/5AJU-RP5_ligand.pdbqt | data/5A/5AJU-RP5/5AJU-RP5_target.pdbqt | data/5A/5AJU-RP5/5AJU-RP5_decoys.pdbqt | data/5A/5AJU-RP5/5AJU-RP5_decoy_scores.csv |
5AKE-6N0 | data/5A/5AKE-6N0/5AKE-6N0_ligand.pdbqt | data/5A/5AKE-6N0/5AKE-6N0_target.pdbqt | data/5A/5AKE-6N0/5AKE-6N0_decoys.pdbqt | data/5A/5AKE-6N0/5AKE-6N0_decoy_scores.csv |
5A7P-6Z1 | data/5A/5A7P-6Z1/5A7P-6Z1_ligand.pdbqt | data/5A/5A7P-6Z1/5A7P-6Z1_target.pdbqt | data/5A/5A7P-6Z1/5A7P-6Z1_decoys.pdbqt | data/5A/5A7P-6Z1/5A7P-6Z1_decoy_scores.csv |
5ALW-JQN | data/5A/5ALW-JQN/5ALW-JQN_ligand.pdbqt | data/5A/5ALW-JQN/5ALW-JQN_target.pdbqt | data/5A/5ALW-JQN/5ALW-JQN_decoys.pdbqt | data/5A/5ALW-JQN/5ALW-JQN_decoy_scores.csv |
5ACX-WL3 | data/5A/5ACX-WL3/5ACX-WL3_ligand.pdbqt | data/5A/5ACX-WL3/5ACX-WL3_target.pdbqt | data/5A/5ACX-WL3/5ACX-WL3_decoys.pdbqt | data/5A/5ACX-WL3/5ACX-WL3_decoy_scores.csv |
5AQD-PEB | data/5A/5AQD-PEB/5AQD-PEB_ligand.pdbqt | data/5A/5AQD-PEB/5AQD-PEB_target.pdbqt | data/5A/5AQD-PEB/5AQD-PEB_decoys.pdbqt | data/5A/5AQD-PEB/5AQD-PEB_decoy_scores.csv |
5ABA-UL7 | data/5A/5ABA-UL7/5ABA-UL7_ligand.pdbqt | data/5A/5ABA-UL7/5ABA-UL7_target.pdbqt | data/5A/5ABA-UL7/5ABA-UL7_decoys.pdbqt | data/5A/5ABA-UL7/5ABA-UL7_decoy_scores.csv |
5AEA-FLC | data/5A/5AEA-FLC/5AEA-FLC_ligand.pdbqt | data/5A/5AEA-FLC/5AEA-FLC_target.pdbqt | data/5A/5AEA-FLC/5AEA-FLC_decoys.pdbqt | data/5A/5AEA-FLC/5AEA-FLC_decoy_scores.csv |
5A07-GDP | data/5A/5A07-GDP/5A07-GDP_ligand.pdbqt | data/5A/5A07-GDP/5A07-GDP_target.pdbqt | data/5A/5A07-GDP/5A07-GDP_decoys.pdbqt | data/5A/5A07-GDP/5A07-GDP_decoy_scores.csv |
5AND-5JE | data/5A/5AND-5JE/5AND-5JE_ligand.pdbqt | data/5A/5AND-5JE/5AND-5JE_target.pdbqt | data/5A/5AND-5JE/5AND-5JE_decoys.pdbqt | data/5A/5AND-5JE/5AND-5JE_decoy_scores.csv |
5AJZ-MJP | data/5A/5AJZ-MJP/5AJZ-MJP_ligand.pdbqt | data/5A/5AJZ-MJP/5AJZ-MJP_target.pdbqt | data/5A/5AJZ-MJP/5AJZ-MJP_decoys.pdbqt | data/5A/5AJZ-MJP/5AJZ-MJP_decoy_scores.csv |
5ADV-DBS | data/5A/5ADV-DBS/5ADV-DBS_ligand.pdbqt | data/5A/5ADV-DBS/5ADV-DBS_target.pdbqt | data/5A/5ADV-DBS/5ADV-DBS_decoys.pdbqt | data/5A/5ADV-DBS/5ADV-DBS_decoy_scores.csv |
5A1G-PPK | data/5A/5A1G-PPK/5A1G-PPK_ligand.pdbqt | data/5A/5A1G-PPK/5A1G-PPK_target.pdbqt | data/5A/5A1G-PPK/5A1G-PPK_decoys.pdbqt | data/5A/5A1G-PPK/5A1G-PPK_decoy_scores.csv |
5A7B-KMN | data/5A/5A7B-KMN/5A7B-KMN_ligand.pdbqt | data/5A/5A7B-KMN/5A7B-KMN_target.pdbqt | data/5A/5A7B-KMN/5A7B-KMN_decoys.pdbqt | data/5A/5A7B-KMN/5A7B-KMN_decoy_scores.csv |
5A1I-PPK | data/5A/5A1I-PPK/5A1I-PPK_ligand.pdbqt | data/5A/5A1I-PPK/5A1I-PPK_target.pdbqt | data/5A/5A1I-PPK/5A1I-PPK_decoys.pdbqt | data/5A/5A1I-PPK/5A1I-PPK_decoy_scores.csv |
5AD6-H4B | data/5A/5AD6-H4B/5AD6-H4B_ligand.pdbqt | data/5A/5AD6-H4B/5AD6-H4B_target.pdbqt | data/5A/5AD6-H4B/5AD6-H4B_decoys.pdbqt | data/5A/5AD6-H4B/5AD6-H4B_decoy_scores.csv |
5ADI-H4B | data/5A/5ADI-H4B/5ADI-H4B_ligand.pdbqt | data/5A/5ADI-H4B/5ADI-H4B_target.pdbqt | data/5A/5ADI-H4B/5ADI-H4B_decoys.pdbqt | data/5A/5ADI-H4B/5ADI-H4B_decoy_scores.csv |
5ANJ-ZXC | data/5A/5ANJ-ZXC/5ANJ-ZXC_ligand.pdbqt | data/5A/5ANJ-ZXC/5ANJ-ZXC_target.pdbqt | data/5A/5ANJ-ZXC/5ANJ-ZXC_decoys.pdbqt | data/5A/5ANJ-ZXC/5ANJ-ZXC_decoy_scores.csv |
5AAC-VGH | data/5A/5AAC-VGH/5AAC-VGH_ligand.pdbqt | data/5A/5AAC-VGH/5AAC-VGH_target.pdbqt | data/5A/5AAC-VGH/5AAC-VGH_decoys.pdbqt | data/5A/5AAC-VGH/5AAC-VGH_decoy_scores.csv |
5AKV-G7G | data/5A/5AKV-G7G/5AKV-G7G_ligand.pdbqt | data/5A/5AKV-G7G/5AKV-G7G_target.pdbqt | data/5A/5AKV-G7G/5AKV-G7G_decoys.pdbqt | data/5A/5AKV-G7G/5AKV-G7G_decoy_scores.csv |
5AI5-BSU | data/5A/5AI5-BSU/5AI5-BSU_ligand.pdbqt | data/5A/5AI5-BSU/5AI5-BSU_target.pdbqt | data/5A/5AI5-BSU/5AI5-BSU_decoys.pdbqt | data/5A/5AI5-BSU/5AI5-BSU_decoy_scores.csv |
5ACY-9S3 | data/5A/5ACY-9S3/5ACY-9S3_ligand.pdbqt | data/5A/5ACY-9S3/5ACY-9S3_target.pdbqt | data/5A/5ACY-9S3/5ACY-9S3_decoys.pdbqt | data/5A/5ACY-9S3/5ACY-9S3_decoy_scores.csv |
5AX0-D10 | data/5A/5AX0-D10/5AX0-D10_ligand.pdbqt | data/5A/5AX0-D10/5AX0-D10_target.pdbqt | data/5A/5AX0-D10/5AX0-D10_decoys.pdbqt | data/5A/5AX0-D10/5AX0-D10_decoy_scores.csv |
5ADB-H4B | data/5A/5ADB-H4B/5ADB-H4B_ligand.pdbqt | data/5A/5ADB-H4B/5ADB-H4B_target.pdbqt | data/5A/5ADB-H4B/5ADB-H4B_decoys.pdbqt | data/5A/5ADB-H4B/5ADB-H4B_decoy_scores.csv |
5AME-PW3 | data/5A/5AME-PW3/5AME-PW3_ligand.pdbqt | data/5A/5AME-PW3/5AME-PW3_target.pdbqt | data/5A/5AME-PW3/5AME-PW3_decoys.pdbqt | data/5A/5AME-PW3/5AME-PW3_decoy_scores.csv |
5ANE-SZL | data/5A/5ANE-SZL/5ANE-SZL_ligand.pdbqt | data/5A/5ANE-SZL/5ANE-SZL_target.pdbqt | data/5A/5ANE-SZL/5ANE-SZL_decoys.pdbqt | data/5A/5ANE-SZL/5ANE-SZL_decoy_scores.csv |
5AII-PG6 | data/5A/5AII-PG6/5AII-PG6_ligand.pdbqt | data/5A/5AII-PG6/5AII-PG6_target.pdbqt | data/5A/5AII-PG6/5AII-PG6_decoys.pdbqt | data/5A/5AII-PG6/5AII-PG6_decoy_scores.csv |
5AC1-TXE | data/5A/5AC1-TXE/5AC1-TXE_ligand.pdbqt | data/5A/5AC1-TXE/5AC1-TXE_target.pdbqt | data/5A/5AC1-TXE/5AC1-TXE_decoys.pdbqt | data/5A/5AC1-TXE/5AC1-TXE_decoy_scores.csv |
5AUX-KMP | data/5A/5AUX-KMP/5AUX-KMP_ligand.pdbqt | data/5A/5AUX-KMP/5AUX-KMP_target.pdbqt | data/5A/5AUX-KMP/5AUX-KMP_decoys.pdbqt | data/5A/5AUX-KMP/5AUX-KMP_decoy_scores.csv |
5AYI-BGC | data/5A/5AYI-BGC/5AYI-BGC_ligand.pdbqt | data/5A/5AYI-BGC/5AYI-BGC_target.pdbqt | data/5A/5AYI-BGC/5AYI-BGC_decoys.pdbqt | data/5A/5AYI-BGC/5AYI-BGC_decoy_scores.csv |
5AM5-6NZ | data/5A/5AM5-6NZ/5AM5-6NZ_ligand.pdbqt | data/5A/5AM5-6NZ/5AM5-6NZ_target.pdbqt | data/5A/5AM5-6NZ/5AM5-6NZ_decoys.pdbqt | data/5A/5AM5-6NZ/5AM5-6NZ_decoy_scores.csv |
5AKK-1P8 | data/5A/5AKK-1P8/5AKK-1P8_ligand.pdbqt | data/5A/5AKK-1P8/5AKK-1P8_target.pdbqt | data/5A/5AKK-1P8/5AKK-1P8_decoys.pdbqt | data/5A/5AKK-1P8/5AKK-1P8_decoy_scores.csv |
5AKU-29F | data/5A/5AKU-29F/5AKU-29F_ligand.pdbqt | data/5A/5AKU-29F/5AKU-29F_target.pdbqt | data/5A/5AKU-29F/5AKU-29F_decoys.pdbqt | data/5A/5AKU-29F/5AKU-29F_decoy_scores.csv |
5A8W-TP7 | data/5A/5A8W-TP7/5A8W-TP7_ligand.pdbqt | data/5A/5A8W-TP7/5A8W-TP7_target.pdbqt | data/5A/5A8W-TP7/5A8W-TP7_decoys.pdbqt | data/5A/5A8W-TP7/5A8W-TP7_decoy_scores.csv |
5AFN-L0B | data/5A/5AFN-L0B/5AFN-L0B_ligand.pdbqt | data/5A/5AFN-L0B/5AFN-L0B_target.pdbqt | data/5A/5AFN-L0B/5AFN-L0B_decoys.pdbqt | data/5A/5AFN-L0B/5AFN-L0B_decoy_scores.csv |
5A1L-S2I | data/5A/5A1L-S2I/5A1L-S2I_ligand.pdbqt | data/5A/5A1L-S2I/5A1L-S2I_target.pdbqt | data/5A/5A1L-S2I/5A1L-S2I_decoys.pdbqt | data/5A/5A1L-S2I/5A1L-S2I_decoy_scores.csv |
5AD5-M94 | data/5A/5AD5-M94/5AD5-M94_ligand.pdbqt | data/5A/5AD5-M94/5AD5-M94_target.pdbqt | data/5A/5AD5-M94/5AD5-M94_decoys.pdbqt | data/5A/5AD5-M94/5AD5-M94_decoy_scores.csv |
5A9A-UTP | data/5A/5A9A-UTP/5A9A-UTP_ligand.pdbqt | data/5A/5A9A-UTP/5A9A-UTP_target.pdbqt | data/5A/5A9A-UTP/5A9A-UTP_decoys.pdbqt | data/5A/5A9A-UTP/5A9A-UTP_decoy_scores.csv |
5ADT-1TC | data/5A/5ADT-1TC/5ADT-1TC_ligand.pdbqt | data/5A/5ADT-1TC/5ADT-1TC_target.pdbqt | data/5A/5ADT-1TC/5ADT-1TC_decoys.pdbqt | data/5A/5ADT-1TC/5ADT-1TC_decoy_scores.csv |
5ALK-WMR | data/5A/5ALK-WMR/5ALK-WMR_ligand.pdbqt | data/5A/5ALK-WMR/5ALK-WMR_target.pdbqt | data/5A/5ALK-WMR/5ALK-WMR_decoys.pdbqt | data/5A/5ALK-WMR/5ALK-WMR_decoy_scores.csv |
5AGM-WT2 | data/5A/5AGM-WT2/5AGM-WT2_ligand.pdbqt | data/5A/5AGM-WT2/5AGM-WT2_target.pdbqt | data/5A/5AGM-WT2/5AGM-WT2_decoys.pdbqt | data/5A/5AGM-WT2/5AGM-WT2_decoy_scores.csv |
5AIS-CWC | data/5A/5AIS-CWC/5AIS-CWC_ligand.pdbqt | data/5A/5AIS-CWC/5AIS-CWC_target.pdbqt | data/5A/5AIS-CWC/5AIS-CWC_decoys.pdbqt | data/5A/5AIS-CWC/5AIS-CWC_decoy_scores.csv |
5AF9-SJR | data/5A/5AF9-SJR/5AF9-SJR_ligand.pdbqt | data/5A/5AF9-SJR/5AF9-SJR_target.pdbqt | data/5A/5AF9-SJR/5AF9-SJR_decoys.pdbqt | data/5A/5AF9-SJR/5AF9-SJR_decoy_scores.csv |
5AHM-IMP | data/5A/5AHM-IMP/5AHM-IMP_ligand.pdbqt | data/5A/5AHM-IMP/5AHM-IMP_target.pdbqt | data/5A/5AHM-IMP/5AHM-IMP_decoys.pdbqt | data/5A/5AHM-IMP/5AHM-IMP_decoy_scores.csv |
5AXA-ADN | data/5A/5AXA-ADN/5AXA-ADN_ligand.pdbqt | data/5A/5AXA-ADN/5AXA-ADN_target.pdbqt | data/5A/5AXA-ADN/5AXA-ADN_decoys.pdbqt | data/5A/5AXA-ADN/5AXA-ADN_decoy_scores.csv |
5AL8-D75 | data/5A/5AL8-D75/5AL8-D75_ligand.pdbqt | data/5A/5AL8-D75/5AL8-D75_target.pdbqt | data/5A/5AL8-D75/5AL8-D75_decoys.pdbqt | data/5A/5AL8-D75/5AL8-D75_decoy_scores.csv |
5AGO-H4B | data/5A/5AGO-H4B/5AGO-H4B_ligand.pdbqt | data/5A/5AGO-H4B/5AGO-H4B_target.pdbqt | data/5A/5AGO-H4B/5AGO-H4B_decoys.pdbqt | data/5A/5AGO-H4B/5AGO-H4B_decoy_scores.csv |
5AXQ-4LP | data/5A/5AXQ-4LP/5AXQ-4LP_ligand.pdbqt | data/5A/5AXQ-4LP/5AXQ-4LP_target.pdbqt | data/5A/5AXQ-4LP/5AXQ-4LP_decoys.pdbqt | data/5A/5AXQ-4LP/5AXQ-4LP_decoy_scores.csv |
5AXS-4LF | data/5A/5AXS-4LF/5AXS-4LF_ligand.pdbqt | data/5A/5AXS-4LF/5AXS-4LF_target.pdbqt | data/5A/5AXS-4LF/5AXS-4LF_decoys.pdbqt | data/5A/5AXS-4LF/5AXS-4LF_decoy_scores.csv |
5AKY-6NJ | data/5A/5AKY-6NJ/5AKY-6NJ_ligand.pdbqt | data/5A/5AKY-6NJ/5AKY-6NJ_target.pdbqt | data/5A/5AKY-6NJ/5AKY-6NJ_decoys.pdbqt | data/5A/5AKY-6NJ/5AKY-6NJ_decoy_scores.csv |
5A1R-STR | data/5A/5A1R-STR/5A1R-STR_ligand.pdbqt | data/5A/5A1R-STR/5A1R-STR_target.pdbqt | data/5A/5A1R-STR/5A1R-STR_decoys.pdbqt | data/5A/5A1R-STR/5A1R-STR_decoy_scores.csv |
5AHA-ZLP | data/5A/5AHA-ZLP/5AHA-ZLP_ligand.pdbqt | data/5A/5AHA-ZLP/5AHA-ZLP_target.pdbqt | data/5A/5AHA-ZLP/5AHA-ZLP_decoys.pdbqt | data/5A/5AHA-ZLP/5AHA-ZLP_decoy_scores.csv |
5AUN-ADP | data/5A/5AUN-ADP/5AUN-ADP_ligand.pdbqt | data/5A/5AUN-ADP/5AUN-ADP_target.pdbqt | data/5A/5AUN-ADP/5AUN-ADP_decoys.pdbqt | data/5A/5AUN-ADP/5AUN-ADP_decoy_scores.csv |
5A1T-NAI | data/5A/5A1T-NAI/5A1T-NAI_ligand.pdbqt | data/5A/5A1T-NAI/5A1T-NAI_target.pdbqt | data/5A/5A1T-NAI/5A1T-NAI_decoys.pdbqt | data/5A/5A1T-NAI/5A1T-NAI_decoy_scores.csv |
5AA8-5P8 | data/5A/5AA8-5P8/5AA8-5P8_ligand.pdbqt | data/5A/5AA8-5P8/5AA8-5P8_target.pdbqt | data/5A/5AA8-5P8/5AA8-5P8_decoys.pdbqt | data/5A/5AA8-5P8/5AA8-5P8_decoy_scores.csv |
5A1P-STR | data/5A/5A1P-STR/5A1P-STR_ligand.pdbqt | data/5A/5A1P-STR/5A1P-STR_target.pdbqt | data/5A/5A1P-STR/5A1P-STR_decoys.pdbqt | data/5A/5A1P-STR/5A1P-STR_decoy_scores.csv |
5AEN-DP8 | data/5A/5AEN-DP8/5AEN-DP8_ligand.pdbqt | data/5A/5AEN-DP8/5AEN-DP8_target.pdbqt | null | null |
5AIP-4HP | data/5A/5AIP-4HP/5AIP-4HP_ligand.pdbqt | data/5A/5AIP-4HP/5AIP-4HP_target.pdbqt | data/5A/5AIP-4HP/5AIP-4HP_decoys.pdbqt | data/5A/5AIP-4HP/5AIP-4HP_decoy_scores.csv |
5AK5-V2Z | data/5A/5AK5-V2Z/5AK5-V2Z_ligand.pdbqt | data/5A/5AK5-V2Z/5AK5-V2Z_target.pdbqt | data/5A/5AK5-V2Z/5AK5-V2Z_decoys.pdbqt | data/5A/5AK5-V2Z/5AK5-V2Z_decoy_scores.csv |
5AGM-H4B | data/5A/5AGM-H4B/5AGM-H4B_ligand.pdbqt | data/5A/5AGM-H4B/5AGM-H4B_target.pdbqt | data/5A/5AGM-H4B/5AGM-H4B_decoys.pdbqt | data/5A/5AGM-H4B/5AGM-H4B_decoy_scores.csv |
5AD9-8VJ | data/5A/5AD9-8VJ/5AD9-8VJ_ligand.pdbqt | data/5A/5AD9-8VJ/5AD9-8VJ_target.pdbqt | data/5A/5AD9-8VJ/5AD9-8VJ_decoys.pdbqt | data/5A/5AD9-8VJ/5AD9-8VJ_decoy_scores.csv |
5AGZ-QHA | data/5A/5AGZ-QHA/5AGZ-QHA_ligand.pdbqt | data/5A/5AGZ-QHA/5AGZ-QHA_target.pdbqt | data/5A/5AGZ-QHA/5AGZ-QHA_decoys.pdbqt | data/5A/5AGZ-QHA/5AGZ-QHA_decoy_scores.csv |
5AV2-KMP | data/5A/5AV2-KMP/5AV2-KMP_ligand.pdbqt | data/5A/5AV2-KMP/5AV2-KMP_target.pdbqt | data/5A/5AV2-KMP/5AV2-KMP_decoys.pdbqt | data/5A/5AV2-KMP/5AV2-KMP_decoy_scores.csv |
5A28-TUQ | data/5A/5A28-TUQ/5A28-TUQ_ligand.pdbqt | data/5A/5A28-TUQ/5A28-TUQ_target.pdbqt | data/5A/5A28-TUQ/5A28-TUQ_decoys.pdbqt | data/5A/5A28-TUQ/5A28-TUQ_decoy_scores.csv |
5AP0-AU5 | data/5A/5AP0-AU5/5AP0-AU5_ligand.pdbqt | data/5A/5AP0-AU5/5AP0-AU5_target.pdbqt | data/5A/5AP0-AU5/5AP0-AU5_decoys.pdbqt | data/5A/5AP0-AU5/5AP0-AU5_decoy_scores.csv |
5AX1-D12 | data/5A/5AX1-D12/5AX1-D12_ligand.pdbqt | data/5A/5AX1-D12/5AX1-D12_target.pdbqt | data/5A/5AX1-D12/5AX1-D12_decoys.pdbqt | data/5A/5AX1-D12/5AX1-D12_decoy_scores.csv |
5AI0-JF6 | data/5A/5AI0-JF6/5AI0-JF6_ligand.pdbqt | data/5A/5AI0-JF6/5AI0-JF6_target.pdbqt | data/5A/5AI0-JF6/5AI0-JF6_decoys.pdbqt | data/5A/5AI0-JF6/5AI0-JF6_decoy_scores.csv |
5ADD-H4B | data/5A/5ADD-H4B/5ADD-H4B_ligand.pdbqt | data/5A/5ADD-H4B/5ADD-H4B_target.pdbqt | data/5A/5ADD-H4B/5ADD-H4B_decoys.pdbqt | data/5A/5ADD-H4B/5ADD-H4B_decoy_scores.csv |
5A3X-QIV | data/5A/5A3X-QIV/5A3X-QIV_ligand.pdbqt | data/5A/5A3X-QIV/5A3X-QIV_target.pdbqt | data/5A/5A3X-QIV/5A3X-QIV_decoys.pdbqt | data/5A/5A3X-QIV/5A3X-QIV_decoy_scores.csv |
5AFG-P07 | data/5A/5AFG-P07/5AFG-P07_ligand.pdbqt | data/5A/5AFG-P07/5AFG-P07_target.pdbqt | data/5A/5AFG-P07/5AFG-P07_decoys.pdbqt | data/5A/5AFG-P07/5AFG-P07_decoy_scores.csv |
5A6H-OE2 | data/5A/5A6H-OE2/5A6H-OE2_ligand.pdbqt | data/5A/5A6H-OE2/5A6H-OE2_target.pdbqt | data/5A/5A6H-OE2/5A6H-OE2_decoys.pdbqt | data/5A/5A6H-OE2/5A6H-OE2_decoy_scores.csv |
5A03-XYP | data/5A/5A03-XYP/5A03-XYP_ligand.pdbqt | data/5A/5A03-XYP/5A03-XYP_target.pdbqt | data/5A/5A03-XYP/5A03-XYP_decoys.pdbqt | data/5A/5A03-XYP/5A03-XYP_decoy_scores.csv |
5AYA-X8Z | data/5A/5AYA-X8Z/5AYA-X8Z_ligand.pdbqt | data/5A/5AYA-X8Z/5AYA-X8Z_target.pdbqt | data/5A/5AYA-X8Z/5AYA-X8Z_decoys.pdbqt | data/5A/5AYA-X8Z/5AYA-X8Z_decoy_scores.csv |
5A7C-5D4 | data/5A/5A7C-5D4/5A7C-5D4_ligand.pdbqt | data/5A/5A7C-5D4/5A7C-5D4_target.pdbqt | data/5A/5A7C-5D4/5A7C-5D4_decoys.pdbqt | data/5A/5A7C-5D4/5A7C-5D4_decoy_scores.csv |
5AD5-H4B | data/5A/5AD5-H4B/5AD5-H4B_ligand.pdbqt | data/5A/5AD5-H4B/5AD5-H4B_target.pdbqt | data/5A/5AD5-H4B/5AD5-H4B_decoys.pdbqt | data/5A/5AD5-H4B/5AD5-H4B_decoy_scores.csv |
5AD6-7M3 | data/5A/5AD6-7M3/5AD6-7M3_ligand.pdbqt | data/5A/5AD6-7M3/5AD6-7M3_target.pdbqt | data/5A/5AD6-7M3/5AD6-7M3_decoys.pdbqt | data/5A/5AD6-7M3/5AD6-7M3_decoy_scores.csv |
5AXG-CXS | data/5A/5AXG-CXS/5AXG-CXS_ligand.pdbqt | data/5A/5AXG-CXS/5AXG-CXS_target.pdbqt | data/5A/5AXG-CXS/5AXG-CXS_decoys.pdbqt | data/5A/5AXG-CXS/5AXG-CXS_decoy_scores.csv |
5ADN-2SN | data/5A/5ADN-2SN/5ADN-2SN_ligand.pdbqt | data/5A/5ADN-2SN/5ADN-2SN_target.pdbqt | null | null |
5AHG-Y4L | data/5A/5AHG-Y4L/5AHG-Y4L_ligand.pdbqt | data/5A/5AHG-Y4L/5AHG-Y4L_target.pdbqt | data/5A/5AHG-Y4L/5AHG-Y4L_decoys.pdbqt | data/5A/5AHG-Y4L/5AHG-Y4L_decoy_scores.csv |
5A1S-FLC | data/5A/5A1S-FLC/5A1S-FLC_ligand.pdbqt | data/5A/5A1S-FLC/5A1S-FLC_target.pdbqt | data/5A/5A1S-FLC/5A1S-FLC_decoys.pdbqt | data/5A/5A1S-FLC/5A1S-FLC_decoy_scores.csv |
5AP1-O38 | data/5A/5AP1-O38/5AP1-O38_ligand.pdbqt | data/5A/5AP1-O38/5AP1-O38_target.pdbqt | data/5A/5AP1-O38/5AP1-O38_decoys.pdbqt | data/5A/5AP1-O38/5AP1-O38_decoy_scores.csv |
5A4K-BTB | data/5A/5A4K-BTB/5A4K-BTB_ligand.pdbqt | data/5A/5A4K-BTB/5A4K-BTB_target.pdbqt | data/5A/5A4K-BTB/5A4K-BTB_decoys.pdbqt | data/5A/5A4K-BTB/5A4K-BTB_decoy_scores.csv |
5AYJ-MUA | data/5A/5AYJ-MUA/5AYJ-MUA_ligand.pdbqt | data/5A/5AYJ-MUA/5AYJ-MUA_target.pdbqt | data/5A/5AYJ-MUA/5AYJ-MUA_decoys.pdbqt | data/5A/5AYJ-MUA/5AYJ-MUA_decoy_scores.csv |
5A04-BGC | data/5A/5A04-BGC/5A04-BGC_ligand.pdbqt | data/5A/5A04-BGC/5A04-BGC_target.pdbqt | data/5A/5A04-BGC/5A04-BGC_decoys.pdbqt | data/5A/5A04-BGC/5A04-BGC_decoy_scores.csv |
5AKS-R3X | data/5A/5AKS-R3X/5AKS-R3X_ligand.pdbqt | data/5A/5AKS-R3X/5AKS-R3X_target.pdbqt | data/5A/5AKS-R3X/5AKS-R3X_decoys.pdbqt | data/5A/5AKS-R3X/5AKS-R3X_decoy_scores.csv |
5A5Q-6XC | data/5A/5A5Q-6XC/5A5Q-6XC_ligand.pdbqt | data/5A/5A5Q-6XC/5A5Q-6XC_target.pdbqt | data/5A/5A5Q-6XC/5A5Q-6XC_decoys.pdbqt | data/5A/5A5Q-6XC/5A5Q-6XC_decoy_scores.csv |
5AMF-TWL | data/5A/5AMF-TWL/5AMF-TWL_ligand.pdbqt | data/5A/5AMF-TWL/5AMF-TWL_target.pdbqt | data/5A/5AMF-TWL/5AMF-TWL_decoys.pdbqt | data/5A/5AMF-TWL/5AMF-TWL_decoy_scores.csv |
5A3N-LQT | data/5A/5A3N-LQT/5A3N-LQT_ligand.pdbqt | data/5A/5A3N-LQT/5A3N-LQT_target.pdbqt | data/5A/5A3N-LQT/5A3N-LQT_decoys.pdbqt | data/5A/5A3N-LQT/5A3N-LQT_decoy_scores.csv |
5ADK-H4B | data/5A/5ADK-H4B/5ADK-H4B_ligand.pdbqt | data/5A/5ADK-H4B/5ADK-H4B_target.pdbqt | null | null |
5ADC-H4B | data/5A/5ADC-H4B/5ADC-H4B_ligand.pdbqt | data/5A/5ADC-H4B/5ADC-H4B_target.pdbqt | data/5A/5ADC-H4B/5ADC-H4B_decoys.pdbqt | data/5A/5ADC-H4B/5ADC-H4B_decoy_scores.csv |
5A7R-AR6 | data/5A/5A7R-AR6/5A7R-AR6_ligand.pdbqt | data/5A/5A7R-AR6/5A7R-AR6_target.pdbqt | data/5A/5A7R-AR6/5A7R-AR6_decoys.pdbqt | data/5A/5A7R-AR6/5A7R-AR6_decoy_scores.csv |
5ALI-Q3B | data/5A/5ALI-Q3B/5ALI-Q3B_ligand.pdbqt | data/5A/5ALI-Q3B/5ALI-Q3B_target.pdbqt | data/5A/5ALI-Q3B/5ALI-Q3B_decoys.pdbqt | data/5A/5ALI-Q3B/5ALI-Q3B_decoy_scores.csv |
5AWZ-C14 | data/5A/5AWZ-C14/5AWZ-C14_ligand.pdbqt | data/5A/5AWZ-C14/5AWZ-C14_target.pdbqt | data/5A/5AWZ-C14/5AWZ-C14_decoys.pdbqt | data/5A/5AWZ-C14/5AWZ-C14_decoy_scores.csv |
5AHY-RET | data/5A/5AHY-RET/5AHY-RET_ligand.pdbqt | data/5A/5AHY-RET/5AHY-RET_target.pdbqt | data/5A/5AHY-RET/5AHY-RET_decoys.pdbqt | data/5A/5AHY-RET/5AHY-RET_decoy_scores.csv |
5AC2-TXE | data/5A/5AC2-TXE/5AC2-TXE_ligand.pdbqt | data/5A/5AC2-TXE/5AC2-TXE_target.pdbqt | null | null |
5ADS-QNS | data/5A/5ADS-QNS/5ADS-QNS_ligand.pdbqt | data/5A/5ADS-QNS/5ADS-QNS_target.pdbqt | data/5A/5ADS-QNS/5ADS-QNS_decoys.pdbqt | data/5A/5ADS-QNS/5ADS-QNS_decoy_scores.csv |
5ALP-QYD | data/5A/5ALP-QYD/5ALP-QYD_ligand.pdbqt | data/5A/5ALP-QYD/5ALP-QYD_target.pdbqt | data/5A/5ALP-QYD/5ALP-QYD_decoys.pdbqt | data/5A/5ALP-QYD/5ALP-QYD_decoy_scores.csv |
5AMI-EF2 | data/5A/5AMI-EF2/5AMI-EF2_ligand.pdbqt | data/5A/5AMI-EF2/5AMI-EF2_target.pdbqt | data/5A/5AMI-EF2/5AMI-EF2_decoys.pdbqt | data/5A/5AMI-EF2/5AMI-EF2_decoy_scores.csv |
5ADQ-A95 | data/5A/5ADQ-A95/5ADQ-A95_ligand.pdbqt | data/5A/5ADQ-A95/5ADQ-A95_target.pdbqt | data/5A/5ADQ-A95/5ADQ-A95_decoys.pdbqt | data/5A/5ADQ-A95/5ADQ-A95_decoy_scores.csv |
5A3O-MMA | data/5A/5A3O-MMA/5A3O-MMA_ligand.pdbqt | data/5A/5A3O-MMA/5A3O-MMA_target.pdbqt | data/5A/5A3O-MMA/5A3O-MMA_decoys.pdbqt | data/5A/5A3O-MMA/5A3O-MMA_decoy_scores.csv |
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