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 ⌀ |
|---|---|---|---|---|
1JQ3-AAT | data/1J/1JQ3-AAT/1JQ3-AAT_ligand.pdbqt | data/1J/1JQ3-AAT/1JQ3-AAT_target.pdbqt | data/1J/1JQ3-AAT/1JQ3-AAT_decoys.pdbqt | data/1J/1JQ3-AAT/1JQ3-AAT_decoy_scores.csv |
1JIP-KTN | data/1J/1JIP-KTN/1JIP-KTN_ligand.pdbqt | data/1J/1JIP-KTN/1JIP-KTN_target.pdbqt | data/1J/1JIP-KTN/1JIP-KTN_decoys.pdbqt | data/1J/1JIP-KTN/1JIP-KTN_decoy_scores.csv |
1JJT-BDS | data/1J/1JJT-BDS/1JJT-BDS_ligand.pdbqt | data/1J/1JJT-BDS/1JJT-BDS_target.pdbqt | data/1J/1JJT-BDS/1JJT-BDS_decoys.pdbqt | data/1J/1JJT-BDS/1JJT-BDS_decoy_scores.csv |
1J78-OLA | data/1J/1J78-OLA/1J78-OLA_ligand.pdbqt | data/1J/1J78-OLA/1J78-OLA_target.pdbqt | data/1J/1J78-OLA/1J78-OLA_decoys.pdbqt | data/1J/1J78-OLA/1J78-OLA_decoy_scores.csv |
1JCX-PAI | data/1J/1JCX-PAI/1JCX-PAI_ligand.pdbqt | data/1J/1JCX-PAI/1JCX-PAI_target.pdbqt | data/1J/1JCX-PAI/1JCX-PAI_decoys.pdbqt | data/1J/1JCX-PAI/1JCX-PAI_decoy_scores.csv |
1JPA-ANP | data/1J/1JPA-ANP/1JPA-ANP_ligand.pdbqt | data/1J/1JPA-ANP/1JPA-ANP_target.pdbqt | data/1J/1JPA-ANP/1JPA-ANP_decoys.pdbqt | data/1J/1JPA-ANP/1JPA-ANP_decoy_scores.csv |
1JA1-FMN | data/1J/1JA1-FMN/1JA1-FMN_ligand.pdbqt | data/1J/1JA1-FMN/1JA1-FMN_target.pdbqt | data/1J/1JA1-FMN/1JA1-FMN_decoys.pdbqt | data/1J/1JA1-FMN/1JA1-FMN_decoy_scores.csv |
1JU9-NAD | data/1J/1JU9-NAD/1JU9-NAD_ligand.pdbqt | data/1J/1JU9-NAD/1JU9-NAD_target.pdbqt | data/1J/1JU9-NAD/1JU9-NAD_decoys.pdbqt | data/1J/1JU9-NAD/1JU9-NAD_decoy_scores.csv |
1JTK-THU | data/1J/1JTK-THU/1JTK-THU_ligand.pdbqt | data/1J/1JTK-THU/1JTK-THU_target.pdbqt | data/1J/1JTK-THU/1JTK-THU_decoys.pdbqt | data/1J/1JTK-THU/1JTK-THU_decoy_scores.csv |
1JZ7-GAL | data/1J/1JZ7-GAL/1JZ7-GAL_ligand.pdbqt | data/1J/1JZ7-GAL/1JZ7-GAL_target.pdbqt | data/1J/1JZ7-GAL/1JZ7-GAL_decoys.pdbqt | data/1J/1JZ7-GAL/1JZ7-GAL_decoy_scores.csv |
1J0D-5PA | data/1J/1J0D-5PA/1J0D-5PA_ligand.pdbqt | data/1J/1J0D-5PA/1J0D-5PA_target.pdbqt | data/1J/1J0D-5PA/1J0D-5PA_decoys.pdbqt | data/1J/1J0D-5PA/1J0D-5PA_decoy_scores.csv |
1JTQ-LY3 | data/1J/1JTQ-LY3/1JTQ-LY3_ligand.pdbqt | data/1J/1JTQ-LY3/1JTQ-LY3_target.pdbqt | data/1J/1JTQ-LY3/1JTQ-LY3_decoys.pdbqt | data/1J/1JTQ-LY3/1JTQ-LY3_decoy_scores.csv |
1JRB-ORO | data/1J/1JRB-ORO/1JRB-ORO_ligand.pdbqt | data/1J/1JRB-ORO/1JRB-ORO_target.pdbqt | data/1J/1JRB-ORO/1JRB-ORO_decoys.pdbqt | data/1J/1JRB-ORO/1JRB-ORO_decoy_scores.csv |
1JSR-LDO | data/1J/1JSR-LDO/1JSR-LDO_ligand.pdbqt | data/1J/1JSR-LDO/1JSR-LDO_target.pdbqt | data/1J/1JSR-LDO/1JSR-LDO_decoys.pdbqt | data/1J/1JSR-LDO/1JSR-LDO_decoy_scores.csv |
1JNQ-EGT | data/1J/1JNQ-EGT/1JNQ-EGT_ligand.pdbqt | data/1J/1JNQ-EGT/1JNQ-EGT_target.pdbqt | data/1J/1JNQ-EGT/1JNQ-EGT_decoys.pdbqt | data/1J/1JNQ-EGT/1JNQ-EGT_decoy_scores.csv |
1JD3-PHB | data/1J/1JD3-PHB/1JD3-PHB_ligand.pdbqt | data/1J/1JD3-PHB/1JD3-PHB_target.pdbqt | data/1J/1JD3-PHB/1JD3-PHB_decoys.pdbqt | data/1J/1JD3-PHB/1JD3-PHB_decoy_scores.csv |
1JZ6-GTZ | data/1J/1JZ6-GTZ/1JZ6-GTZ_ligand.pdbqt | data/1J/1JZ6-GTZ/1JZ6-GTZ_target.pdbqt | data/1J/1JZ6-GTZ/1JZ6-GTZ_decoys.pdbqt | data/1J/1JZ6-GTZ/1JZ6-GTZ_decoy_scores.csv |
1JQE-SAH | data/1J/1JQE-SAH/1JQE-SAH_ligand.pdbqt | data/1J/1JQE-SAH/1JQE-SAH_target.pdbqt | data/1J/1JQE-SAH/1JQE-SAH_decoys.pdbqt | data/1J/1JQE-SAH/1JQE-SAH_decoy_scores.csv |
1JDJ-MYS | data/1J/1JDJ-MYS/1JDJ-MYS_ligand.pdbqt | data/1J/1JDJ-MYS/1JDJ-MYS_target.pdbqt | data/1J/1JDJ-MYS/1JDJ-MYS_decoys.pdbqt | data/1J/1JDJ-MYS/1JDJ-MYS_decoy_scores.csv |
1J09-ATP | data/1J/1J09-ATP/1J09-ATP_ligand.pdbqt | data/1J/1J09-ATP/1J09-ATP_target.pdbqt | data/1J/1J09-ATP/1J09-ATP_decoys.pdbqt | data/1J/1J09-ATP/1J09-ATP_decoy_scores.csv |
1J0X-NAD | data/1J/1J0X-NAD/1J0X-NAD_ligand.pdbqt | data/1J/1J0X-NAD/1J0X-NAD_target.pdbqt | data/1J/1J0X-NAD/1J0X-NAD_decoys.pdbqt | data/1J/1J0X-NAD/1J0X-NAD_decoy_scores.csv |
1J09-GLU | data/1J/1J09-GLU/1J09-GLU_ligand.pdbqt | data/1J/1J09-GLU/1J09-GLU_target.pdbqt | data/1J/1J09-GLU/1J09-GLU_decoys.pdbqt | data/1J/1J09-GLU/1J09-GLU_decoy_scores.csv |
1JV3-UD2 | data/1J/1JV3-UD2/1JV3-UD2_ligand.pdbqt | data/1J/1JV3-UD2/1JV3-UD2_target.pdbqt | data/1J/1JV3-UD2/1JV3-UD2_decoys.pdbqt | data/1J/1JV3-UD2/1JV3-UD2_decoy_scores.csv |
1JCM-137 | data/1J/1JCM-137/1JCM-137_ligand.pdbqt | data/1J/1JCM-137/1JCM-137_target.pdbqt | data/1J/1JCM-137/1JCM-137_decoys.pdbqt | data/1J/1JCM-137/1JCM-137_decoy_scores.csv |
1JHR-P2P | data/1J/1JHR-P2P/1JHR-P2P_ligand.pdbqt | data/1J/1JHR-P2P/1JHR-P2P_target.pdbqt | data/1J/1JHR-P2P/1JHR-P2P_decoys.pdbqt | data/1J/1JHR-P2P/1JHR-P2P_decoy_scores.csv |
1J3R-6PG | data/1J/1J3R-6PG/1J3R-6PG_ligand.pdbqt | data/1J/1J3R-6PG/1J3R-6PG_target.pdbqt | data/1J/1J3R-6PG/1J3R-6PG_decoys.pdbqt | data/1J/1J3R-6PG/1J3R-6PG_decoy_scores.csv |
1J7L-ADP | data/1J/1J7L-ADP/1J7L-ADP_ligand.pdbqt | data/1J/1J7L-ADP/1J7L-ADP_target.pdbqt | data/1J/1J7L-ADP/1J7L-ADP_decoys.pdbqt | data/1J/1J7L-ADP/1J7L-ADP_decoy_scores.csv |
1JUY-H5P | data/1J/1JUY-H5P/1JUY-H5P_ligand.pdbqt | data/1J/1JUY-H5P/1JUY-H5P_target.pdbqt | data/1J/1JUY-H5P/1JUY-H5P_decoys.pdbqt | data/1J/1JUY-H5P/1JUY-H5P_decoy_scores.csv |
1JF2-CZH | data/1J/1JF2-CZH/1JF2-CZH_ligand.pdbqt | data/1J/1JF2-CZH/1JF2-CZH_target.pdbqt | data/1J/1JF2-CZH/1JF2-CZH_decoys.pdbqt | data/1J/1JF2-CZH/1JF2-CZH_decoy_scores.csv |
1JZS-MRC | data/1J/1JZS-MRC/1JZS-MRC_ligand.pdbqt | data/1J/1JZS-MRC/1JZS-MRC_target.pdbqt | data/1J/1JZS-MRC/1JZS-MRC_decoys.pdbqt | data/1J/1JZS-MRC/1JZS-MRC_decoy_scores.csv |
1JQ5-NAD | data/1J/1JQ5-NAD/1JQ5-NAD_ligand.pdbqt | data/1J/1JQ5-NAD/1JQ5-NAD_target.pdbqt | data/1J/1JQ5-NAD/1JQ5-NAD_decoys.pdbqt | data/1J/1JQ5-NAD/1JQ5-NAD_decoy_scores.csv |
1JIU-UDP | data/1J/1JIU-UDP/1JIU-UDP_ligand.pdbqt | data/1J/1JIU-UDP/1JIU-UDP_target.pdbqt | data/1J/1JIU-UDP/1JIU-UDP_decoys.pdbqt | data/1J/1JIU-UDP/1JIU-UDP_decoy_scores.csv |
1JJB-PE7 | data/1J/1JJB-PE7/1JJB-PE7_ligand.pdbqt | data/1J/1JJB-PE7/1JJB-PE7_target.pdbqt | data/1J/1JJB-PE7/1JJB-PE7_decoys.pdbqt | data/1J/1JJB-PE7/1JJB-PE7_decoy_scores.csv |
1J2G-AZA | data/1J/1J2G-AZA/1J2G-AZA_ligand.pdbqt | data/1J/1J2G-AZA/1J2G-AZA_target.pdbqt | data/1J/1J2G-AZA/1J2G-AZA_decoys.pdbqt | data/1J/1J2G-AZA/1J2G-AZA_decoy_scores.csv |
1J9G-FMN | data/1J/1J9G-FMN/1J9G-FMN_ligand.pdbqt | data/1J/1J9G-FMN/1J9G-FMN_target.pdbqt | data/1J/1J9G-FMN/1J9G-FMN_decoys.pdbqt | data/1J/1J9G-FMN/1J9G-FMN_decoy_scores.csv |
1JQV-ORO | data/1J/1JQV-ORO/1JQV-ORO_ligand.pdbqt | data/1J/1JQV-ORO/1JQV-ORO_target.pdbqt | data/1J/1JQV-ORO/1JQV-ORO_decoys.pdbqt | data/1J/1JQV-ORO/1JQV-ORO_decoy_scores.csv |
1JLD-0PP | data/1J/1JLD-0PP/1JLD-0PP_ligand.pdbqt | data/1J/1JLD-0PP/1JLD-0PP_target.pdbqt | data/1J/1JLD-0PP/1JLD-0PP_decoys.pdbqt | data/1J/1JLD-0PP/1JLD-0PP_decoy_scores.csv |
1JAC-AMG | data/1J/1JAC-AMG/1JAC-AMG_ligand.pdbqt | data/1J/1JAC-AMG/1JAC-AMG_target.pdbqt | data/1J/1JAC-AMG/1JAC-AMG_decoys.pdbqt | data/1J/1JAC-AMG/1JAC-AMG_decoy_scores.csv |
1J1Z-CIR | data/1J/1J1Z-CIR/1J1Z-CIR_ligand.pdbqt | data/1J/1J1Z-CIR/1J1Z-CIR_target.pdbqt | data/1J/1J1Z-CIR/1J1Z-CIR_decoys.pdbqt | data/1J/1J1Z-CIR/1J1Z-CIR_decoy_scores.csv |
1J79-NCD | data/1J/1J79-NCD/1J79-NCD_ligand.pdbqt | data/1J/1J79-NCD/1J79-NCD_target.pdbqt | data/1J/1J79-NCD/1J79-NCD_decoys.pdbqt | data/1J/1J79-NCD/1J79-NCD_decoy_scores.csv |
1JCS-FII | data/1J/1JCS-FII/1JCS-FII_ligand.pdbqt | data/1J/1JCS-FII/1JCS-FII_target.pdbqt | data/1J/1JCS-FII/1JCS-FII_decoys.pdbqt | data/1J/1JCS-FII/1JCS-FII_decoy_scores.csv |
1JWY-ADP | data/1J/1JWY-ADP/1JWY-ADP_ligand.pdbqt | data/1J/1JWY-ADP/1JWY-ADP_target.pdbqt | data/1J/1JWY-ADP/1JWY-ADP_decoys.pdbqt | data/1J/1JWY-ADP/1JWY-ADP_decoy_scores.csv |
1J1G-5GP | data/1J/1J1G-5GP/1J1G-5GP_ligand.pdbqt | data/1J/1J1G-5GP/1J1G-5GP_target.pdbqt | data/1J/1J1G-5GP/1J1G-5GP_decoys.pdbqt | data/1J/1J1G-5GP/1J1G-5GP_decoy_scores.csv |
1JHO-RMB | data/1J/1JHO-RMB/1JHO-RMB_ligand.pdbqt | data/1J/1JHO-RMB/1JHO-RMB_target.pdbqt | data/1J/1JHO-RMB/1JHO-RMB_decoys.pdbqt | data/1J/1JHO-RMB/1JHO-RMB_decoy_scores.csv |
1JGS-SAL | data/1J/1JGS-SAL/1JGS-SAL_ligand.pdbqt | data/1J/1JGS-SAL/1JGS-SAL_target.pdbqt | data/1J/1JGS-SAL/1JGS-SAL_decoys.pdbqt | data/1J/1JGS-SAL/1JGS-SAL_decoy_scores.csv |
1JYW-147 | data/1J/1JYW-147/1JYW-147_ligand.pdbqt | data/1J/1JYW-147/1JYW-147_target.pdbqt | data/1J/1JYW-147/1JYW-147_decoys.pdbqt | data/1J/1JYW-147/1JYW-147_decoy_scores.csv |
1J3I-WRA | data/1J/1J3I-WRA/1J3I-WRA_ligand.pdbqt | data/1J/1J3I-WRA/1J3I-WRA_target.pdbqt | data/1J/1J3I-WRA/1J3I-WRA_decoys.pdbqt | data/1J/1J3I-WRA/1J3I-WRA_decoy_scores.csv |
1J5P-NAD | data/1J/1J5P-NAD/1J5P-NAD_ligand.pdbqt | data/1J/1J5P-NAD/1J5P-NAD_target.pdbqt | data/1J/1J5P-NAD/1J5P-NAD_decoys.pdbqt | data/1J/1J5P-NAD/1J5P-NAD_decoy_scores.csv |
1JPN-GNP | data/1J/1JPN-GNP/1JPN-GNP_ligand.pdbqt | data/1J/1JPN-GNP/1JPN-GNP_target.pdbqt | data/1J/1JPN-GNP/1JPN-GNP_decoys.pdbqt | data/1J/1JPN-GNP/1JPN-GNP_decoy_scores.csv |
1JB0-BCR | data/1J/1JB0-BCR/1JB0-BCR_ligand.pdbqt | data/1J/1JB0-BCR/1JB0-BCR_target.pdbqt | data/1J/1JB0-BCR/1JB0-BCR_decoys.pdbqt | data/1J/1JB0-BCR/1JB0-BCR_decoy_scores.csv |
1JMZ-PND | data/1J/1JMZ-PND/1JMZ-PND_ligand.pdbqt | data/1J/1JMZ-PND/1JMZ-PND_target.pdbqt | data/1J/1JMZ-PND/1JMZ-PND_decoys.pdbqt | data/1J/1JMZ-PND/1JMZ-PND_decoy_scores.csv |
1JGT-CMA | data/1J/1JGT-CMA/1JGT-CMA_ligand.pdbqt | data/1J/1JGT-CMA/1JGT-CMA_target.pdbqt | data/1J/1JGT-CMA/1JGT-CMA_decoys.pdbqt | data/1J/1JGT-CMA/1JGT-CMA_decoy_scores.csv |
1JG3-ADN | data/1J/1JG3-ADN/1JG3-ADN_ligand.pdbqt | data/1J/1JG3-ADN/1JG3-ADN_target.pdbqt | data/1J/1JG3-ADN/1JG3-ADN_decoys.pdbqt | data/1J/1JG3-ADN/1JG3-ADN_decoy_scores.csv |
1J0N-CEG | data/1J/1J0N-CEG/1J0N-CEG_ligand.pdbqt | data/1J/1J0N-CEG/1J0N-CEG_target.pdbqt | data/1J/1J0N-CEG/1J0N-CEG_decoys.pdbqt | data/1J/1J0N-CEG/1J0N-CEG_decoy_scores.csv |
1JHM-5MB | data/1J/1JHM-5MB/1JHM-5MB_ligand.pdbqt | data/1J/1JHM-5MB/1JHM-5MB_target.pdbqt | data/1J/1JHM-5MB/1JHM-5MB_decoys.pdbqt | data/1J/1JHM-5MB/1JHM-5MB_decoy_scores.csv |
1JTU-UMP | data/1J/1JTU-UMP/1JTU-UMP_ligand.pdbqt | data/1J/1JTU-UMP/1JTU-UMP_target.pdbqt | data/1J/1JTU-UMP/1JTU-UMP_decoys.pdbqt | data/1J/1JTU-UMP/1JTU-UMP_decoy_scores.csv |
1JK3-BAT | data/1J/1JK3-BAT/1JK3-BAT_ligand.pdbqt | data/1J/1JK3-BAT/1JK3-BAT_target.pdbqt | data/1J/1JK3-BAT/1JK3-BAT_decoys.pdbqt | data/1J/1JK3-BAT/1JK3-BAT_decoy_scores.csv |
1J1R-ADE | data/1J/1J1R-ADE/1J1R-ADE_ligand.pdbqt | data/1J/1J1R-ADE/1J1R-ADE_target.pdbqt | data/1J/1J1R-ADE/1J1R-ADE_decoys.pdbqt | data/1J/1J1R-ADE/1J1R-ADE_decoy_scores.csv |
1JP3-EGC | data/1J/1JP3-EGC/1JP3-EGC_ligand.pdbqt | data/1J/1JP3-EGC/1JP3-EGC_target.pdbqt | data/1J/1JP3-EGC/1JP3-EGC_decoys.pdbqt | data/1J/1JP3-EGC/1JP3-EGC_decoy_scores.csv |
1JHA-AAM | data/1J/1JHA-AAM/1JHA-AAM_ligand.pdbqt | data/1J/1JHA-AAM/1JHA-AAM_target.pdbqt | data/1J/1JHA-AAM/1JHA-AAM_decoys.pdbqt | data/1J/1JHA-AAM/1JHA-AAM_decoy_scores.csv |
1JJ7-ADP | data/1J/1JJ7-ADP/1JJ7-ADP_ligand.pdbqt | data/1J/1JJ7-ADP/1JJ7-ADP_target.pdbqt | data/1J/1JJ7-ADP/1JJ7-ADP_decoys.pdbqt | data/1J/1JJ7-ADP/1JJ7-ADP_decoy_scores.csv |
1JYL-CDC | data/1J/1JYL-CDC/1JYL-CDC_ligand.pdbqt | data/1J/1JYL-CDC/1JYL-CDC_target.pdbqt | data/1J/1JYL-CDC/1JYL-CDC_decoys.pdbqt | data/1J/1JYL-CDC/1JYL-CDC_decoy_scores.csv |
1JD0-AZM | data/1J/1JD0-AZM/1JD0-AZM_ligand.pdbqt | data/1J/1JD0-AZM/1JD0-AZM_target.pdbqt | data/1J/1JD0-AZM/1JD0-AZM_decoys.pdbqt | data/1J/1JD0-AZM/1JD0-AZM_decoy_scores.csv |
1JN4-139 | data/1J/1JN4-139/1JN4-139_ligand.pdbqt | data/1J/1JN4-139/1JN4-139_target.pdbqt | data/1J/1JN4-139/1JN4-139_decoys.pdbqt | data/1J/1JN4-139/1JN4-139_decoy_scores.csv |
1JY8-CDI | data/1J/1JY8-CDI/1JY8-CDI_ligand.pdbqt | data/1J/1JY8-CDI/1JY8-CDI_target.pdbqt | data/1J/1JY8-CDI/1JY8-CDI_decoys.pdbqt | data/1J/1JY8-CDI/1JY8-CDI_decoy_scores.csv |
1JA9-PYQ | data/1J/1JA9-PYQ/1JA9-PYQ_ligand.pdbqt | data/1J/1JA9-PYQ/1JA9-PYQ_target.pdbqt | data/1J/1JA9-PYQ/1JA9-PYQ_decoys.pdbqt | data/1J/1JA9-PYQ/1JA9-PYQ_decoy_scores.csv |
1JSZ-NDM | data/1J/1JSZ-NDM/1JSZ-NDM_ligand.pdbqt | data/1J/1JSZ-NDM/1JSZ-NDM_target.pdbqt | data/1J/1JSZ-NDM/1JSZ-NDM_decoys.pdbqt | data/1J/1JSZ-NDM/1JSZ-NDM_decoy_scores.csv |
1J12-EBG | data/1J/1J12-EBG/1J12-EBG_ligand.pdbqt | data/1J/1J12-EBG/1J12-EBG_target.pdbqt | data/1J/1J12-EBG/1J12-EBG_decoys.pdbqt | data/1J/1J12-EBG/1J12-EBG_decoy_scores.csv |
1JVI-RHC | data/1J/1JVI-RHC/1JVI-RHC_ligand.pdbqt | data/1J/1JVI-RHC/1JVI-RHC_target.pdbqt | data/1J/1JVI-RHC/1JVI-RHC_decoys.pdbqt | data/1J/1JVI-RHC/1JVI-RHC_decoy_scores.csv |
1JY8-C5P | data/1J/1JY8-C5P/1JY8-C5P_ligand.pdbqt | data/1J/1JY8-C5P/1JY8-C5P_target.pdbqt | data/1J/1JY8-C5P/1JY8-C5P_decoys.pdbqt | data/1J/1JY8-C5P/1JY8-C5P_decoy_scores.csv |
1J0Y-BGC | data/1J/1J0Y-BGC/1J0Y-BGC_ligand.pdbqt | data/1J/1J0Y-BGC/1J0Y-BGC_target.pdbqt | data/1J/1J0Y-BGC/1J0Y-BGC_decoys.pdbqt | data/1J/1J0Y-BGC/1J0Y-BGC_decoy_scores.csv |
1JSL-DDO | data/1J/1JSL-DDO/1JSL-DDO_ligand.pdbqt | data/1J/1JSL-DDO/1JSL-DDO_target.pdbqt | data/1J/1JSL-DDO/1JSL-DDO_decoys.pdbqt | data/1J/1JSL-DDO/1JSL-DDO_decoy_scores.csv |
1JQV-FMN | data/1J/1JQV-FMN/1JQV-FMN_ligand.pdbqt | data/1J/1JQV-FMN/1JQV-FMN_target.pdbqt | data/1J/1JQV-FMN/1JQV-FMN_decoys.pdbqt | data/1J/1JQV-FMN/1JQV-FMN_decoy_scores.csv |
1JG7-UDP | data/1J/1JG7-UDP/1JG7-UDP_ligand.pdbqt | data/1J/1JG7-UDP/1JG7-UDP_target.pdbqt | data/1J/1JG7-UDP/1JG7-UDP_decoys.pdbqt | data/1J/1JG7-UDP/1JG7-UDP_decoy_scores.csv |
1JXN-MFU | data/1J/1JXN-MFU/1JXN-MFU_ligand.pdbqt | data/1J/1JXN-MFU/1JXN-MFU_target.pdbqt | data/1J/1JXN-MFU/1JXN-MFU_decoys.pdbqt | data/1J/1JXN-MFU/1JXN-MFU_decoy_scores.csv |
1JZ3-2DG | data/1J/1JZ3-2DG/1JZ3-2DG_ligand.pdbqt | data/1J/1JZ3-2DG/1JZ3-2DG_target.pdbqt | data/1J/1JZ3-2DG/1JZ3-2DG_decoys.pdbqt | data/1J/1JZ3-2DG/1JZ3-2DG_decoy_scores.csv |
1J3K-WRA | data/1J/1J3K-WRA/1J3K-WRA_ligand.pdbqt | data/1J/1J3K-WRA/1J3K-WRA_target.pdbqt | data/1J/1J3K-WRA/1J3K-WRA_decoys.pdbqt | data/1J/1J3K-WRA/1J3K-WRA_decoy_scores.csv |
1JBP-ADP | data/1J/1JBP-ADP/1JBP-ADP_ligand.pdbqt | data/1J/1JBP-ADP/1JBP-ADP_target.pdbqt | data/1J/1JBP-ADP/1JBP-ADP_decoys.pdbqt | data/1J/1JBP-ADP/1JBP-ADP_decoy_scores.csv |
1JWB-AMP | data/1J/1JWB-AMP/1JWB-AMP_ligand.pdbqt | data/1J/1JWB-AMP/1JWB-AMP_target.pdbqt | data/1J/1JWB-AMP/1JWB-AMP_decoys.pdbqt | data/1J/1JWB-AMP/1JWB-AMP_decoy_scores.csv |
1JNW-FMN | data/1J/1JNW-FMN/1JNW-FMN_ligand.pdbqt | data/1J/1JNW-FMN/1JNW-FMN_target.pdbqt | data/1J/1JNW-FMN/1JNW-FMN_decoys.pdbqt | data/1J/1JNW-FMN/1JNW-FMN_decoy_scores.csv |
1JKI-DG6 | data/1J/1JKI-DG6/1JKI-DG6_ligand.pdbqt | data/1J/1JKI-DG6/1JKI-DG6_target.pdbqt | data/1J/1JKI-DG6/1JKI-DG6_decoys.pdbqt | data/1J/1JKI-DG6/1JKI-DG6_decoy_scores.csv |
1J8A-BEN | data/1J/1J8A-BEN/1J8A-BEN_ligand.pdbqt | data/1J/1J8A-BEN/1J8A-BEN_target.pdbqt | data/1J/1J8A-BEN/1J8A-BEN_decoys.pdbqt | data/1J/1J8A-BEN/1J8A-BEN_decoy_scores.csv |
1JP4-AMP | data/1J/1JP4-AMP/1JP4-AMP_ligand.pdbqt | data/1J/1JP4-AMP/1JP4-AMP_target.pdbqt | data/1J/1JP4-AMP/1JP4-AMP_decoys.pdbqt | data/1J/1JP4-AMP/1JP4-AMP_decoy_scores.csv |
1JNK-ANP | data/1J/1JNK-ANP/1JNK-ANP_ligand.pdbqt | data/1J/1JNK-ANP/1JNK-ANP_target.pdbqt | data/1J/1JNK-ANP/1JNK-ANP_decoys.pdbqt | data/1J/1JNK-ANP/1JNK-ANP_decoy_scores.csv |
1JQH-ANP | data/1J/1JQH-ANP/1JQH-ANP_ligand.pdbqt | data/1J/1JQH-ANP/1JQH-ANP_target.pdbqt | data/1J/1JQH-ANP/1JQH-ANP_decoys.pdbqt | data/1J/1JQH-ANP/1JQH-ANP_decoy_scores.csv |
1JBW-TMF | data/1J/1JBW-TMF/1JBW-TMF_ligand.pdbqt | data/1J/1JBW-TMF/1JBW-TMF_target.pdbqt | data/1J/1JBW-TMF/1JBW-TMF_decoys.pdbqt | data/1J/1JBW-TMF/1JBW-TMF_decoy_scores.csv |
1JNY-GDP | data/1J/1JNY-GDP/1JNY-GDP_ligand.pdbqt | data/1J/1JNY-GDP/1JNY-GDP_target.pdbqt | data/1J/1JNY-GDP/1JNY-GDP_decoys.pdbqt | data/1J/1JNY-GDP/1JNY-GDP_decoy_scores.csv |
1JGT-APC | data/1J/1JGT-APC/1JGT-APC_ligand.pdbqt | data/1J/1JGT-APC/1JGT-APC_target.pdbqt | data/1J/1JGT-APC/1JGT-APC_decoys.pdbqt | data/1J/1JGT-APC/1JGT-APC_decoy_scores.csv |
1JLS-PRP | data/1J/1JLS-PRP/1JLS-PRP_ligand.pdbqt | data/1J/1JLS-PRP/1JLS-PRP_target.pdbqt | data/1J/1JLS-PRP/1JLS-PRP_decoys.pdbqt | data/1J/1JLS-PRP/1JLS-PRP_decoy_scores.csv |
1J6Z-RHO | data/1J/1J6Z-RHO/1J6Z-RHO_ligand.pdbqt | data/1J/1J6Z-RHO/1J6Z-RHO_target.pdbqt | data/1J/1J6Z-RHO/1J6Z-RHO_decoys.pdbqt | data/1J/1J6Z-RHO/1J6Z-RHO_decoy_scores.csv |
1JHP-5OB | data/1J/1JHP-5OB/1JHP-5OB_ligand.pdbqt | data/1J/1JHP-5OB/1JHP-5OB_target.pdbqt | data/1J/1JHP-5OB/1JHP-5OB_decoys.pdbqt | data/1J/1JHP-5OB/1JHP-5OB_decoy_scores.csv |
1J3F-CZM | data/1J/1J3F-CZM/1J3F-CZM_ligand.pdbqt | data/1J/1J3F-CZM/1J3F-CZM_target.pdbqt | null | null |
1JHG-TRP | data/1J/1JHG-TRP/1JHG-TRP_ligand.pdbqt | data/1J/1JHG-TRP/1JHG-TRP_target.pdbqt | data/1J/1JHG-TRP/1JHG-TRP_decoys.pdbqt | data/1J/1JHG-TRP/1JHG-TRP_decoy_scores.csv |
1JPZ-140 | data/1J/1JPZ-140/1JPZ-140_ligand.pdbqt | data/1J/1JPZ-140/1JPZ-140_target.pdbqt | data/1J/1JPZ-140/1JPZ-140_decoys.pdbqt | data/1J/1JPZ-140/1JPZ-140_decoy_scores.csv |
1JIN-KTN | data/1J/1JIN-KTN/1JIN-KTN_ligand.pdbqt | data/1J/1JIN-KTN/1JIN-KTN_target.pdbqt | data/1J/1JIN-KTN/1JIN-KTN_decoys.pdbqt | data/1J/1JIN-KTN/1JIN-KTN_decoy_scores.csv |
1JIL-485 | data/1J/1JIL-485/1JIL-485_ligand.pdbqt | data/1J/1JIL-485/1JIL-485_target.pdbqt | data/1J/1JIL-485/1JIL-485_decoys.pdbqt | data/1J/1JIL-485/1JIL-485_decoy_scores.csv |
1JYX-IPT | data/1J/1JYX-IPT/1JYX-IPT_ligand.pdbqt | data/1J/1JYX-IPT/1JYX-IPT_target.pdbqt | data/1J/1JYX-IPT/1JYX-IPT_decoys.pdbqt | data/1J/1JYX-IPT/1JYX-IPT_decoy_scores.csv |
1JIM-ICU | data/1J/1JIM-ICU/1JIM-ICU_ligand.pdbqt | data/1J/1JIM-ICU/1JIM-ICU_target.pdbqt | data/1J/1JIM-ICU/1JIM-ICU_decoys.pdbqt | data/1J/1JIM-ICU/1JIM-ICU_decoy_scores.csv |
1JDF-GLR | data/1J/1JDF-GLR/1JDF-GLR_ligand.pdbqt | data/1J/1JDF-GLR/1JDF-GLR_target.pdbqt | data/1J/1JDF-GLR/1JDF-GLR_decoys.pdbqt | data/1J/1JDF-GLR/1JDF-GLR_decoy_scores.csv |
1JGL-EST | data/1J/1JGL-EST/1JGL-EST_ligand.pdbqt | data/1J/1JGL-EST/1JGL-EST_target.pdbqt | data/1J/1JGL-EST/1JGL-EST_decoys.pdbqt | data/1J/1JGL-EST/1JGL-EST_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.