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 ⌀ |
|---|---|---|---|---|
5AYJ-P6G | data/5A/5AYJ-P6G/5AYJ-P6G_ligand.pdbqt | data/5A/5AYJ-P6G/5AYJ-P6G_target.pdbqt | data/5A/5AYJ-P6G/5AYJ-P6G_decoys.pdbqt | data/5A/5AYJ-P6G/5AYJ-P6G_decoy_scores.csv |
5ALD-FCW | data/5A/5ALD-FCW/5ALD-FCW_ligand.pdbqt | data/5A/5ALD-FCW/5ALD-FCW_target.pdbqt | data/5A/5ALD-FCW/5ALD-FCW_decoys.pdbqt | data/5A/5ALD-FCW/5ALD-FCW_decoy_scores.csv |
5A5P-JTF | data/5A/5A5P-JTF/5A5P-JTF_ligand.pdbqt | data/5A/5A5P-JTF/5A5P-JTF_target.pdbqt | data/5A/5A5P-JTF/5A5P-JTF_decoys.pdbqt | data/5A/5A5P-JTF/5A5P-JTF_decoy_scores.csv |
5A5N-8WS | data/5A/5A5N-8WS/5A5N-8WS_ligand.pdbqt | data/5A/5A5N-8WS/5A5N-8WS_target.pdbqt | data/5A/5A5N-8WS/5A5N-8WS_decoys.pdbqt | data/5A/5A5N-8WS/5A5N-8WS_decoy_scores.csv |
5A8K-TP7 | data/5A/5A8K-TP7/5A8K-TP7_ligand.pdbqt | data/5A/5A8K-TP7/5A8K-TP7_target.pdbqt | data/5A/5A8K-TP7/5A8K-TP7_decoys.pdbqt | data/5A/5A8K-TP7/5A8K-TP7_decoy_scores.csv |
5ARF-SAM | data/5A/5ARF-SAM/5ARF-SAM_ligand.pdbqt | data/5A/5ARF-SAM/5ARF-SAM_target.pdbqt | data/5A/5ARF-SAM/5ARF-SAM_decoys.pdbqt | data/5A/5ARF-SAM/5ARF-SAM_decoy_scores.csv |
5AEE-NSQ | data/5A/5AEE-NSQ/5AEE-NSQ_ligand.pdbqt | data/5A/5AEE-NSQ/5AEE-NSQ_target.pdbqt | data/5A/5AEE-NSQ/5AEE-NSQ_decoys.pdbqt | data/5A/5AEE-NSQ/5AEE-NSQ_decoy_scores.csv |
5A1I-SAM | data/5A/5A1I-SAM/5A1I-SAM_ligand.pdbqt | data/5A/5A1I-SAM/5A1I-SAM_target.pdbqt | data/5A/5A1I-SAM/5A1I-SAM_decoys.pdbqt | data/5A/5A1I-SAM/5A1I-SAM_decoy_scores.csv |
5A80-9CJ | data/5A/5A80-9CJ/5A80-9CJ_ligand.pdbqt | data/5A/5A80-9CJ/5A80-9CJ_target.pdbqt | data/5A/5A80-9CJ/5A80-9CJ_decoys.pdbqt | data/5A/5A80-9CJ/5A80-9CJ_decoy_scores.csv |
5AD3-K6K | data/5A/5AD3-K6K/5AD3-K6K_ligand.pdbqt | data/5A/5AD3-K6K/5AD3-K6K_target.pdbqt | data/5A/5AD3-K6K/5AD3-K6K_decoys.pdbqt | data/5A/5AD3-K6K/5AD3-K6K_decoy_scores.csv |
5A4W-QCT | data/5A/5A4W-QCT/5A4W-QCT_ligand.pdbqt | data/5A/5A4W-QCT/5A4W-QCT_target.pdbqt | data/5A/5A4W-QCT/5A4W-QCT_decoys.pdbqt | data/5A/5A4W-QCT/5A4W-QCT_decoy_scores.csv |
5AEW-BNL | data/5A/5AEW-BNL/5AEW-BNL_ligand.pdbqt | data/5A/5AEW-BNL/5AEW-BNL_target.pdbqt | data/5A/5AEW-BNL/5AEW-BNL_decoys.pdbqt | data/5A/5AEW-BNL/5AEW-BNL_decoy_scores.csv |
5AD8-9M9 | data/5A/5AD8-9M9/5AD8-9M9_ligand.pdbqt | data/5A/5AD8-9M9/5AD8-9M9_target.pdbqt | data/5A/5AD8-9M9/5AD8-9M9_decoys.pdbqt | data/5A/5AD8-9M9/5AD8-9M9_decoy_scores.csv |
5AQR-N8Y | data/5A/5AQR-N8Y/5AQR-N8Y_ligand.pdbqt | data/5A/5AQR-N8Y/5AQR-N8Y_target.pdbqt | data/5A/5AQR-N8Y/5AQR-N8Y_decoys.pdbqt | data/5A/5AQR-N8Y/5AQR-N8Y_decoy_scores.csv |
5ACL-SAS | data/5A/5ACL-SAS/5ACL-SAS_ligand.pdbqt | data/5A/5ACL-SAS/5ACL-SAS_target.pdbqt | data/5A/5ACL-SAS/5ACL-SAS_decoys.pdbqt | data/5A/5ACL-SAS/5ACL-SAS_decoy_scores.csv |
5AUT-2AN | data/5A/5AUT-2AN/5AUT-2AN_ligand.pdbqt | data/5A/5AUT-2AN/5AUT-2AN_target.pdbqt | data/5A/5AUT-2AN/5AUT-2AN_decoys.pdbqt | data/5A/5AUT-2AN/5AUT-2AN_decoy_scores.csv |
5ALH-4UA | data/5A/5ALH-4UA/5ALH-4UA_ligand.pdbqt | data/5A/5ALH-4UA/5ALH-4UA_target.pdbqt | data/5A/5ALH-4UA/5ALH-4UA_decoys.pdbqt | data/5A/5ALH-4UA/5ALH-4UA_decoy_scores.csv |
5ABX-MGP | data/5A/5ABX-MGP/5ABX-MGP_ligand.pdbqt | data/5A/5ABX-MGP/5ABX-MGP_target.pdbqt | data/5A/5ABX-MGP/5ABX-MGP_decoys.pdbqt | data/5A/5ABX-MGP/5ABX-MGP_decoy_scores.csv |
5AQW-5P7 | data/5A/5AQW-5P7/5AQW-5P7_ligand.pdbqt | data/5A/5AQW-5P7/5AQW-5P7_target.pdbqt | data/5A/5AQW-5P7/5AQW-5P7_decoys.pdbqt | data/5A/5AQW-5P7/5AQW-5P7_decoy_scores.csv |
5ANQ-5YQ | data/5A/5ANQ-5YQ/5ANQ-5YQ_ligand.pdbqt | data/5A/5ANQ-5YQ/5ANQ-5YQ_target.pdbqt | data/5A/5ANQ-5YQ/5ANQ-5YQ_decoys.pdbqt | data/5A/5ANQ-5YQ/5ANQ-5YQ_decoy_scores.csv |
5AOJ-Y0V | data/5A/5AOJ-Y0V/5AOJ-Y0V_ligand.pdbqt | data/5A/5AOJ-Y0V/5AOJ-Y0V_target.pdbqt | data/5A/5AOJ-Y0V/5AOJ-Y0V_decoys.pdbqt | data/5A/5AOJ-Y0V/5AOJ-Y0V_decoy_scores.csv |
5AJN-A2G | data/5A/5AJN-A2G/5AJN-A2G_ligand.pdbqt | data/5A/5AJN-A2G/5AJN-A2G_target.pdbqt | data/5A/5AJN-A2G/5AJN-A2G_decoys.pdbqt | data/5A/5AJN-A2G/5AJN-A2G_decoy_scores.csv |
5AC0-NAD | data/5A/5AC0-NAD/5AC0-NAD_ligand.pdbqt | data/5A/5AC0-NAD/5AC0-NAD_target.pdbqt | data/5A/5AC0-NAD/5AC0-NAD_decoys.pdbqt | data/5A/5AC0-NAD/5AC0-NAD_decoy_scores.csv |
5AK0-8V1 | data/5A/5AK0-8V1/5AK0-8V1_ligand.pdbqt | data/5A/5AK0-8V1/5AK0-8V1_target.pdbqt | data/5A/5AK0-8V1/5AK0-8V1_decoys.pdbqt | data/5A/5AK0-8V1/5AK0-8V1_decoy_scores.csv |
5ALG-R4N | data/5A/5ALG-R4N/5ALG-R4N_ligand.pdbqt | data/5A/5ALG-R4N/5ALG-R4N_target.pdbqt | data/5A/5ALG-R4N/5ALG-R4N_decoys.pdbqt | data/5A/5ALG-R4N/5ALG-R4N_decoy_scores.csv |
5AK2-85Z | data/5A/5AK2-85Z/5AK2-85Z_ligand.pdbqt | data/5A/5AK2-85Z/5AK2-85Z_target.pdbqt | data/5A/5AK2-85Z/5AK2-85Z_decoys.pdbqt | data/5A/5AK2-85Z/5AK2-85Z_decoy_scores.csv |
5AJZ-F6P | data/5A/5AJZ-F6P/5AJZ-F6P_ligand.pdbqt | data/5A/5AJZ-F6P/5AJZ-F6P_target.pdbqt | data/5A/5AJZ-F6P/5AJZ-F6P_decoys.pdbqt | data/5A/5AJZ-F6P/5AJZ-F6P_decoy_scores.csv |
5A5V-PXJ | data/5A/5A5V-PXJ/5A5V-PXJ_ligand.pdbqt | data/5A/5A5V-PXJ/5A5V-PXJ_target.pdbqt | data/5A/5A5V-PXJ/5A5V-PXJ_decoys.pdbqt | data/5A/5A5V-PXJ/5A5V-PXJ_decoy_scores.csv |
5AIA-KWB | data/5A/5AIA-KWB/5AIA-KWB_ligand.pdbqt | data/5A/5AIA-KWB/5AIA-KWB_target.pdbqt | data/5A/5AIA-KWB/5AIA-KWB_decoys.pdbqt | data/5A/5AIA-KWB/5AIA-KWB_decoy_scores.csv |
5ADJ-M94 | data/5A/5ADJ-M94/5ADJ-M94_ligand.pdbqt | data/5A/5ADJ-M94/5ADJ-M94_target.pdbqt | null | null |
5ANV-RGJ | data/5A/5ANV-RGJ/5ANV-RGJ_ligand.pdbqt | data/5A/5ANV-RGJ/5ANV-RGJ_target.pdbqt | data/5A/5ANV-RGJ/5ANV-RGJ_decoys.pdbqt | data/5A/5ANV-RGJ/5ANV-RGJ_decoy_scores.csv |
5AJY-87T | data/5A/5AJY-87T/5AJY-87T_ligand.pdbqt | data/5A/5AJY-87T/5AJY-87T_target.pdbqt | data/5A/5AJY-87T/5AJY-87T_decoys.pdbqt | data/5A/5AJY-87T/5AJY-87T_decoy_scores.csv |
5AFZ-UET | data/5A/5AFZ-UET/5AFZ-UET_ligand.pdbqt | data/5A/5AFZ-UET/5AFZ-UET_target.pdbqt | data/5A/5AFZ-UET/5AFZ-UET_decoys.pdbqt | data/5A/5AFZ-UET/5AFZ-UET_decoy_scores.csv |
5A4V-QUE | data/5A/5A4V-QUE/5A4V-QUE_ligand.pdbqt | data/5A/5A4V-QUE/5A4V-QUE_target.pdbqt | data/5A/5A4V-QUE/5A4V-QUE_decoys.pdbqt | data/5A/5A4V-QUE/5A4V-QUE_decoy_scores.csv |
5AGO-VUR | data/5A/5AGO-VUR/5AGO-VUR_ligand.pdbqt | data/5A/5AGO-VUR/5AGO-VUR_target.pdbqt | data/5A/5AGO-VUR/5AGO-VUR_decoys.pdbqt | data/5A/5AGO-VUR/5AGO-VUR_decoy_scores.csv |
5AH7-C7J | data/5A/5AH7-C7J/5AH7-C7J_ligand.pdbqt | data/5A/5AH7-C7J/5AH7-C7J_target.pdbqt | data/5A/5AH7-C7J/5AH7-C7J_decoys.pdbqt | data/5A/5AH7-C7J/5AH7-C7J_decoy_scores.csv |
5AAN-XOC | data/5A/5AAN-XOC/5AAN-XOC_ligand.pdbqt | data/5A/5AAN-XOC/5AAN-XOC_target.pdbqt | data/5A/5AAN-XOC/5AAN-XOC_decoys.pdbqt | data/5A/5AAN-XOC/5AAN-XOC_decoy_scores.csv |
5AXV-CTP | data/5A/5AXV-CTP/5AXV-CTP_ligand.pdbqt | data/5A/5AXV-CTP/5AXV-CTP_target.pdbqt | data/5A/5AXV-CTP/5AXV-CTP_decoys.pdbqt | data/5A/5AXV-CTP/5AXV-CTP_decoy_scores.csv |
5AXD-NAD | data/5A/5AXD-NAD/5AXD-NAD_ligand.pdbqt | data/5A/5AXD-NAD/5AXD-NAD_target.pdbqt | data/5A/5AXD-NAD/5AXD-NAD_decoys.pdbqt | data/5A/5AXD-NAD/5AXD-NAD_decoy_scores.csv |
5AGE-M9M | data/5A/5AGE-M9M/5AGE-M9M_ligand.pdbqt | data/5A/5AGE-M9M/5AGE-M9M_target.pdbqt | data/5A/5AGE-M9M/5AGE-M9M_decoys.pdbqt | data/5A/5AGE-M9M/5AGE-M9M_decoy_scores.csv |
5AV0-47X | data/5A/5AV0-47X/5AV0-47X_ligand.pdbqt | data/5A/5AV0-47X/5AV0-47X_target.pdbqt | data/5A/5AV0-47X/5AV0-47X_decoys.pdbqt | data/5A/5AV0-47X/5AV0-47X_decoy_scores.csv |
5AXA-NAD | data/5A/5AXA-NAD/5AXA-NAD_ligand.pdbqt | data/5A/5AXA-NAD/5AXA-NAD_target.pdbqt | data/5A/5AXA-NAD/5AXA-NAD_decoys.pdbqt | data/5A/5AXA-NAD/5AXA-NAD_decoy_scores.csv |
5AWZ-D12 | data/5A/5AWZ-D12/5AWZ-D12_ligand.pdbqt | data/5A/5AWZ-D12/5AWZ-D12_target.pdbqt | data/5A/5AWZ-D12/5AWZ-D12_decoys.pdbqt | data/5A/5AWZ-D12/5AWZ-D12_decoy_scores.csv |
5A6N-U7E | data/5A/5A6N-U7E/5A6N-U7E_ligand.pdbqt | data/5A/5A6N-U7E/5A6N-U7E_target.pdbqt | data/5A/5A6N-U7E/5A6N-U7E_decoys.pdbqt | data/5A/5A6N-U7E/5A6N-U7E_decoy_scores.csv |
5AAP-VNY | data/5A/5AAP-VNY/5AAP-VNY_ligand.pdbqt | data/5A/5AAP-VNY/5AAP-VNY_target.pdbqt | data/5A/5AAP-VNY/5AAP-VNY_decoys.pdbqt | data/5A/5AAP-VNY/5AAP-VNY_decoy_scores.csv |
5A7W-35M | data/5A/5A7W-35M/5A7W-35M_ligand.pdbqt | data/5A/5A7W-35M/5A7W-35M_target.pdbqt | data/5A/5A7W-35M/5A7W-35M_decoys.pdbqt | data/5A/5A7W-35M/5A7W-35M_decoy_scores.csv |
5AJY-F6P | data/5A/5AJY-F6P/5AJY-F6P_ligand.pdbqt | data/5A/5AJY-F6P/5AJY-F6P_target.pdbqt | data/5A/5AJY-F6P/5AJY-F6P_decoys.pdbqt | data/5A/5AJY-F6P/5AJY-F6P_decoy_scores.csv |
5AXC-ARJ | data/5A/5AXC-ARJ/5AXC-ARJ_ligand.pdbqt | data/5A/5AXC-ARJ/5AXC-ARJ_target.pdbqt | data/5A/5AXC-ARJ/5AXC-ARJ_decoys.pdbqt | data/5A/5AXC-ARJ/5AXC-ARJ_decoy_scores.csv |
5AZB-PLM | data/5A/5AZB-PLM/5AZB-PLM_ligand.pdbqt | data/5A/5AZB-PLM/5AZB-PLM_target.pdbqt | data/5A/5AZB-PLM/5AZB-PLM_decoys.pdbqt | data/5A/5AZB-PLM/5AZB-PLM_decoy_scores.csv |
5ALX-DUL | data/5A/5ALX-DUL/5ALX-DUL_ligand.pdbqt | data/5A/5ALX-DUL/5ALX-DUL_target.pdbqt | data/5A/5ALX-DUL/5ALX-DUL_decoys.pdbqt | data/5A/5ALX-DUL/5ALX-DUL_decoy_scores.csv |
5AMJ-EF2 | data/5A/5AMJ-EF2/5AMJ-EF2_ligand.pdbqt | data/5A/5AMJ-EF2/5AMJ-EF2_target.pdbqt | data/5A/5AMJ-EF2/5AMJ-EF2_decoys.pdbqt | data/5A/5AMJ-EF2/5AMJ-EF2_decoy_scores.csv |
5AD1-8LC | data/5A/5AD1-8LC/5AD1-8LC_ligand.pdbqt | data/5A/5AD1-8LC/5AD1-8LC_target.pdbqt | data/5A/5AD1-8LC/5AD1-8LC_decoys.pdbqt | data/5A/5AD1-8LC/5AD1-8LC_decoy_scores.csv |
5ADE-H4B | data/5A/5ADE-H4B/5ADE-H4B_ligand.pdbqt | data/5A/5ADE-H4B/5ADE-H4B_target.pdbqt | data/5A/5ADE-H4B/5ADE-H4B_decoys.pdbqt | data/5A/5ADE-H4B/5ADE-H4B_decoy_scores.csv |
5AIV-M1W | data/5A/5AIV-M1W/5AIV-M1W_ligand.pdbqt | data/5A/5AIV-M1W/5AIV-M1W_target.pdbqt | data/5A/5AIV-M1W/5AIV-M1W_decoys.pdbqt | data/5A/5AIV-M1W/5AIV-M1W_decoy_scores.csv |
5AWV-T55 | data/5A/5AWV-T55/5AWV-T55_ligand.pdbqt | data/5A/5AWV-T55/5AWV-T55_target.pdbqt | data/5A/5AWV-T55/5AWV-T55_decoys.pdbqt | data/5A/5AWV-T55/5AWV-T55_decoy_scores.csv |
5AD8-H4B | data/5A/5AD8-H4B/5AD8-H4B_ligand.pdbqt | data/5A/5AD8-H4B/5AD8-H4B_target.pdbqt | data/5A/5AD8-H4B/5AD8-H4B_decoys.pdbqt | data/5A/5AD8-H4B/5AD8-H4B_decoy_scores.csv |
5AYF-SAM | data/5A/5AYF-SAM/5AYF-SAM_ligand.pdbqt | data/5A/5AYF-SAM/5AYF-SAM_target.pdbqt | data/5A/5AYF-SAM/5AYF-SAM_decoys.pdbqt | data/5A/5AYF-SAM/5AYF-SAM_decoy_scores.csv |
5A6K-NSG | data/5A/5A6K-NSG/5A6K-NSG_ligand.pdbqt | data/5A/5A6K-NSG/5A6K-NSG_target.pdbqt | data/5A/5A6K-NSG/5A6K-NSG_decoys.pdbqt | data/5A/5A6K-NSG/5A6K-NSG_decoy_scores.csv |
5ABE-XQO | data/5A/5ABE-XQO/5ABE-XQO_ligand.pdbqt | data/5A/5ABE-XQO/5ABE-XQO_target.pdbqt | data/5A/5ABE-XQO/5ABE-XQO_decoys.pdbqt | data/5A/5ABE-XQO/5ABE-XQO_decoy_scores.csv |
5ABZ-Z47 | data/5A/5ABZ-Z47/5ABZ-Z47_ligand.pdbqt | data/5A/5ABZ-Z47/5ABZ-Z47_target.pdbqt | data/5A/5ABZ-Z47/5ABZ-Z47_decoys.pdbqt | data/5A/5ABZ-Z47/5ABZ-Z47_decoy_scores.csv |
5ADM-H4B | data/5A/5ADM-H4B/5ADM-H4B_ligand.pdbqt | data/5A/5ADM-H4B/5ADM-H4B_target.pdbqt | null | null |
5AHB-J5L | data/5A/5AHB-J5L/5AHB-J5L_ligand.pdbqt | data/5A/5AHB-J5L/5AHB-J5L_target.pdbqt | data/5A/5AHB-J5L/5AHB-J5L_decoys.pdbqt | data/5A/5AHB-J5L/5AHB-J5L_decoy_scores.csv |
5A64-V4E | data/5A/5A64-V4E/5A64-V4E_ligand.pdbqt | data/5A/5A64-V4E/5A64-V4E_target.pdbqt | data/5A/5A64-V4E/5A64-V4E_decoys.pdbqt | data/5A/5A64-V4E/5A64-V4E_decoy_scores.csv |
5A5F-ADP | data/5A/5A5F-ADP/5A5F-ADP_ligand.pdbqt | data/5A/5A5F-ADP/5A5F-ADP_target.pdbqt | data/5A/5A5F-ADP/5A5F-ADP_decoys.pdbqt | data/5A/5A5F-ADP/5A5F-ADP_decoy_scores.csv |
5AKW-NKI | data/5A/5AKW-NKI/5AKW-NKI_ligand.pdbqt | data/5A/5AKW-NKI/5AKW-NKI_target.pdbqt | data/5A/5AKW-NKI/5AKW-NKI_decoys.pdbqt | data/5A/5AKW-NKI/5AKW-NKI_decoy_scores.csv |
5ADG-XEB | data/5A/5ADG-XEB/5ADG-XEB_ligand.pdbqt | data/5A/5ADG-XEB/5ADG-XEB_target.pdbqt | data/5A/5ADG-XEB/5ADG-XEB_decoys.pdbqt | data/5A/5ADG-XEB/5ADG-XEB_decoy_scores.csv |
5ARB-EI3 | data/5A/5ARB-EI3/5ARB-EI3_ligand.pdbqt | data/5A/5ARB-EI3/5ARB-EI3_target.pdbqt | data/5A/5ARB-EI3/5ARB-EI3_decoys.pdbqt | data/5A/5ARB-EI3/5ARB-EI3_decoy_scores.csv |
5AZP-3PK | data/5A/5AZP-3PK/5AZP-3PK_ligand.pdbqt | data/5A/5AZP-3PK/5AZP-3PK_target.pdbqt | data/5A/5AZP-3PK/5AZP-3PK_decoys.pdbqt | data/5A/5AZP-3PK/5AZP-3PK_decoy_scores.csv |
5AM3-AUB | data/5A/5AM3-AUB/5AM3-AUB_ligand.pdbqt | data/5A/5AM3-AUB/5AM3-AUB_target.pdbqt | data/5A/5AM3-AUB/5AM3-AUB_decoys.pdbqt | data/5A/5AM3-AUB/5AM3-AUB_decoy_scores.csv |
5AE3-AWB | data/5A/5AE3-AWB/5AE3-AWB_ligand.pdbqt | data/5A/5AE3-AWB/5AE3-AWB_target.pdbqt | data/5A/5AE3-AWB/5AE3-AWB_decoys.pdbqt | data/5A/5AE3-AWB/5AE3-AWB_decoy_scores.csv |
5AHW-CMP | data/5A/5AHW-CMP/5AHW-CMP_ligand.pdbqt | data/5A/5AHW-CMP/5AHW-CMP_target.pdbqt | data/5A/5AHW-CMP/5AHW-CMP_decoys.pdbqt | data/5A/5AHW-CMP/5AHW-CMP_decoy_scores.csv |
5AQI-ADE | data/5A/5AQI-ADE/5AQI-ADE_ligand.pdbqt | data/5A/5AQI-ADE/5AQI-ADE_target.pdbqt | data/5A/5AQI-ADE/5AQI-ADE_decoys.pdbqt | data/5A/5AQI-ADE/5AQI-ADE_decoy_scores.csv |
5A98-ATP | data/5A/5A98-ATP/5A98-ATP_ligand.pdbqt | data/5A/5A98-ATP/5A98-ATP_target.pdbqt | data/5A/5A98-ATP/5A98-ATP_decoys.pdbqt | data/5A/5A98-ATP/5A98-ATP_decoy_scores.csv |
5A4T-AJG | data/5A/5A4T-AJG/5A4T-AJG_ligand.pdbqt | data/5A/5A4T-AJG/5A4T-AJG_target.pdbqt | data/5A/5A4T-AJG/5A4T-AJG_decoys.pdbqt | data/5A/5A4T-AJG/5A4T-AJG_decoy_scores.csv |
5A57-5G0 | data/5A/5A57-5G0/5A57-5G0_ligand.pdbqt | data/5A/5A57-5G0/5A57-5G0_target.pdbqt | data/5A/5A57-5G0/5A57-5G0_decoys.pdbqt | data/5A/5A57-5G0/5A57-5G0_decoy_scores.csv |
5ACN-TRC | data/5A/5ACN-TRC/5ACN-TRC_ligand.pdbqt | data/5A/5ACN-TRC/5ACN-TRC_target.pdbqt | data/5A/5ACN-TRC/5ACN-TRC_decoys.pdbqt | data/5A/5ACN-TRC/5ACN-TRC_decoy_scores.csv |
5ALY-B7H | data/5A/5ALY-B7H/5ALY-B7H_ligand.pdbqt | data/5A/5ALY-B7H/5ALY-B7H_target.pdbqt | data/5A/5ALY-B7H/5ALY-B7H_decoys.pdbqt | data/5A/5ALY-B7H/5ALY-B7H_decoy_scores.csv |
5ALE-ONR | data/5A/5ALE-ONR/5ALE-ONR_ligand.pdbqt | data/5A/5ALE-ONR/5ALE-ONR_target.pdbqt | data/5A/5ALE-ONR/5ALE-ONR_decoys.pdbqt | data/5A/5ALE-ONR/5ALE-ONR_decoy_scores.csv |
5AXC-NAD | data/5A/5AXC-NAD/5AXC-NAD_ligand.pdbqt | data/5A/5AXC-NAD/5AXC-NAD_target.pdbqt | data/5A/5AXC-NAD/5AXC-NAD_decoys.pdbqt | data/5A/5AXC-NAD/5AXC-NAD_decoy_scores.csv |
5A0Y-TP7 | data/5A/5A0Y-TP7/5A0Y-TP7_ligand.pdbqt | data/5A/5A0Y-TP7/5A0Y-TP7_target.pdbqt | data/5A/5A0Y-TP7/5A0Y-TP7_decoys.pdbqt | data/5A/5A0Y-TP7/5A0Y-TP7_decoy_scores.csv |
5ALJ-T5J | data/5A/5ALJ-T5J/5ALJ-T5J_ligand.pdbqt | data/5A/5ALJ-T5J/5ALJ-T5J_target.pdbqt | data/5A/5ALJ-T5J/5ALJ-T5J_decoys.pdbqt | data/5A/5ALJ-T5J/5ALJ-T5J_decoy_scores.csv |
5A3Y-LYS | data/5A/5A3Y-LYS/5A3Y-LYS_ligand.pdbqt | data/5A/5A3Y-LYS/5A3Y-LYS_target.pdbqt | data/5A/5A3Y-LYS/5A3Y-LYS_decoys.pdbqt | data/5A/5A3Y-LYS/5A3Y-LYS_decoy_scores.csv |
5AH3-DMU | data/5A/5AH3-DMU/5AH3-DMU_ligand.pdbqt | data/5A/5AH3-DMU/5AH3-DMU_target.pdbqt | data/5A/5AH3-DMU/5AH3-DMU_decoys.pdbqt | data/5A/5AH3-DMU/5AH3-DMU_decoy_scores.csv |
5ALO-A0J | data/5A/5ALO-A0J/5ALO-A0J_ligand.pdbqt | data/5A/5ALO-A0J/5ALO-A0J_target.pdbqt | data/5A/5ALO-A0J/5ALO-A0J_decoys.pdbqt | data/5A/5ALO-A0J/5ALO-A0J_decoy_scores.csv |
5A5R-NP8 | data/5A/5A5R-NP8/5A5R-NP8_ligand.pdbqt | data/5A/5A5R-NP8/5A5R-NP8_target.pdbqt | data/5A/5A5R-NP8/5A5R-NP8_decoys.pdbqt | data/5A/5A5R-NP8/5A5R-NP8_decoy_scores.csv |
5ARF-I9H | data/5A/5ARF-I9H/5ARF-I9H_ligand.pdbqt | data/5A/5ARF-I9H/5ARF-I9H_target.pdbqt | data/5A/5ARF-I9H/5ARF-I9H_decoys.pdbqt | data/5A/5ARF-I9H/5ARF-I9H_decoy_scores.csv |
5AGN-H4B | data/5A/5AGN-H4B/5AGN-H4B_ligand.pdbqt | data/5A/5AGN-H4B/5AGN-H4B_target.pdbqt | data/5A/5AGN-H4B/5AGN-H4B_decoys.pdbqt | data/5A/5AGN-H4B/5AGN-H4B_decoy_scores.csv |
5AQU-UX0 | data/5A/5AQU-UX0/5AQU-UX0_ligand.pdbqt | data/5A/5AQU-UX0/5AQU-UX0_target.pdbqt | data/5A/5AQU-UX0/5AQU-UX0_decoys.pdbqt | data/5A/5AQU-UX0/5AQU-UX0_decoy_scores.csv |
5AKL-6N8 | data/5A/5AKL-6N8/5AKL-6N8_ligand.pdbqt | data/5A/5AKL-6N8/5AKL-6N8_target.pdbqt | data/5A/5AKL-6N8/5AKL-6N8_decoys.pdbqt | data/5A/5AKL-6N8/5AKL-6N8_decoy_scores.csv |
5AK8-ARG | data/5A/5AK8-ARG/5AK8-ARG_ligand.pdbqt | data/5A/5AK8-ARG/5AK8-ARG_target.pdbqt | data/5A/5AK8-ARG/5AK8-ARG_decoys.pdbqt | data/5A/5AK8-ARG/5AK8-ARG_decoy_scores.csv |
5ACM-MBT | data/5A/5ACM-MBT/5ACM-MBT_ligand.pdbqt | data/5A/5ACM-MBT/5ACM-MBT_target.pdbqt | data/5A/5ACM-MBT/5ACM-MBT_decoys.pdbqt | data/5A/5ACM-MBT/5ACM-MBT_decoy_scores.csv |
5AMH-EF2 | data/5A/5AMH-EF2/5AMH-EF2_ligand.pdbqt | data/5A/5AMH-EF2/5AMH-EF2_target.pdbqt | data/5A/5AMH-EF2/5AMH-EF2_decoys.pdbqt | data/5A/5AMH-EF2/5AMH-EF2_decoy_scores.csv |
5AG5-DLR | data/5A/5AG5-DLR/5AG5-DLR_ligand.pdbqt | data/5A/5AG5-DLR/5AG5-DLR_target.pdbqt | data/5A/5AG5-DLR/5AG5-DLR_decoys.pdbqt | data/5A/5AG5-DLR/5AG5-DLR_decoy_scores.csv |
5AIN-QMR | data/5A/5AIN-QMR/5AIN-QMR_ligand.pdbqt | data/5A/5AIN-QMR/5AIN-QMR_target.pdbqt | data/5A/5AIN-QMR/5AIN-QMR_decoys.pdbqt | data/5A/5AIN-QMR/5AIN-QMR_decoy_scores.csv |
5AYV-KPL | data/5A/5AYV-KPL/5AYV-KPL_ligand.pdbqt | data/5A/5AYV-KPL/5AYV-KPL_target.pdbqt | data/5A/5AYV-KPL/5AYV-KPL_decoys.pdbqt | data/5A/5AYV-KPL/5AYV-KPL_decoy_scores.csv |
5A3C-NAD | data/5A/5A3C-NAD/5A3C-NAD_ligand.pdbqt | data/5A/5A3C-NAD/5A3C-NAD_target.pdbqt | data/5A/5A3C-NAD/5A3C-NAD_decoys.pdbqt | data/5A/5A3C-NAD/5A3C-NAD_decoy_scores.csv |
5AH9-C7L | data/5A/5AH9-C7L/5AH9-C7L_ligand.pdbqt | data/5A/5AH9-C7L/5AH9-C7L_target.pdbqt | data/5A/5AH9-C7L/5AH9-C7L_decoys.pdbqt | data/5A/5AH9-C7L/5AH9-C7L_decoy_scores.csv |
5A8R-TP7 | data/5A/5A8R-TP7/5A8R-TP7_ligand.pdbqt | data/5A/5A8R-TP7/5A8R-TP7_target.pdbqt | data/5A/5A8R-TP7/5A8R-TP7_decoys.pdbqt | data/5A/5A8R-TP7/5A8R-TP7_decoy_scores.csv |
5AWJ-YSL | data/5A/5AWJ-YSL/5AWJ-YSL_ligand.pdbqt | data/5A/5AWJ-YSL/5AWJ-YSL_target.pdbqt | data/5A/5AWJ-YSL/5AWJ-YSL_decoys.pdbqt | data/5A/5AWJ-YSL/5AWJ-YSL_decoy_scores.csv |
5AYK-1PS | data/5A/5AYK-1PS/5AYK-1PS_ligand.pdbqt | data/5A/5AYK-1PS/5AYK-1PS_target.pdbqt | data/5A/5AYK-1PS/5AYK-1PS_decoys.pdbqt | data/5A/5AYK-1PS/5AYK-1PS_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.