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 ⌀ |
|---|---|---|---|---|
2IXI-TYD | data/2I/2IXI-TYD/2IXI-TYD_ligand.pdbqt | data/2I/2IXI-TYD/2IXI-TYD_target.pdbqt | data/2I/2IXI-TYD/2IXI-TYD_decoys.pdbqt | data/2I/2IXI-TYD/2IXI-TYD_decoy_scores.csv |
2IGX-A1T | data/2I/2IGX-A1T/2IGX-A1T_ligand.pdbqt | data/2I/2IGX-A1T/2IGX-A1T_target.pdbqt | data/2I/2IGX-A1T/2IGX-A1T_decoys.pdbqt | data/2I/2IGX-A1T/2IGX-A1T_decoy_scores.csv |
2IYY-S3P | data/2I/2IYY-S3P/2IYY-S3P_ligand.pdbqt | data/2I/2IYY-S3P/2IYY-S3P_target.pdbqt | data/2I/2IYY-S3P/2IYY-S3P_decoys.pdbqt | data/2I/2IYY-S3P/2IYY-S3P_decoy_scores.csv |
2IML-FMN | data/2I/2IML-FMN/2IML-FMN_ligand.pdbqt | data/2I/2IML-FMN/2IML-FMN_target.pdbqt | data/2I/2IML-FMN/2IML-FMN_decoys.pdbqt | data/2I/2IML-FMN/2IML-FMN_decoy_scores.csv |
2IYR-SKM | data/2I/2IYR-SKM/2IYR-SKM_ligand.pdbqt | data/2I/2IYR-SKM/2IYR-SKM_target.pdbqt | data/2I/2IYR-SKM/2IYR-SKM_decoys.pdbqt | data/2I/2IYR-SKM/2IYR-SKM_decoy_scores.csv |
2IC5-GDP | data/2I/2IC5-GDP/2IC5-GDP_ligand.pdbqt | data/2I/2IC5-GDP/2IC5-GDP_target.pdbqt | data/2I/2IC5-GDP/2IC5-GDP_decoys.pdbqt | data/2I/2IC5-GDP/2IC5-GDP_decoy_scores.csv |
2IKO-7IG | data/2I/2IKO-7IG/2IKO-7IG_ligand.pdbqt | data/2I/2IKO-7IG/2IKO-7IG_target.pdbqt | data/2I/2IKO-7IG/2IKO-7IG_decoys.pdbqt | data/2I/2IKO-7IG/2IKO-7IG_decoy_scores.csv |
2IEI-PLR | data/2I/2IEI-PLR/2IEI-PLR_ligand.pdbqt | data/2I/2IEI-PLR/2IEI-PLR_target.pdbqt | data/2I/2IEI-PLR/2IEI-PLR_decoys.pdbqt | data/2I/2IEI-PLR/2IEI-PLR_decoy_scores.csv |
2IKH-LIT | data/2I/2IKH-LIT/2IKH-LIT_ligand.pdbqt | data/2I/2IKH-LIT/2IKH-LIT_target.pdbqt | data/2I/2IKH-LIT/2IKH-LIT_decoys.pdbqt | data/2I/2IKH-LIT/2IKH-LIT_decoy_scores.csv |
2I6P-4NP | data/2I/2I6P-4NP/2I6P-4NP_ligand.pdbqt | data/2I/2I6P-4NP/2I6P-4NP_target.pdbqt | data/2I/2I6P-4NP/2I6P-4NP_decoys.pdbqt | data/2I/2I6P-4NP/2I6P-4NP_decoy_scores.csv |
2I4D-QFI | data/2I/2I4D-QFI/2I4D-QFI_ligand.pdbqt | data/2I/2I4D-QFI/2I4D-QFI_target.pdbqt | data/2I/2I4D-QFI/2I4D-QFI_decoys.pdbqt | data/2I/2I4D-QFI/2I4D-QFI_decoy_scores.csv |
2IY6-FLC | data/2I/2IY6-FLC/2IY6-FLC_ligand.pdbqt | data/2I/2IY6-FLC/2IY6-FLC_target.pdbqt | data/2I/2IY6-FLC/2IY6-FLC_decoys.pdbqt | data/2I/2IY6-FLC/2IY6-FLC_decoy_scores.csv |
2IOG-IOG | data/2I/2IOG-IOG/2IOG-IOG_ligand.pdbqt | data/2I/2IOG-IOG/2IOG-IOG_target.pdbqt | data/2I/2IOG-IOG/2IOG-IOG_decoys.pdbqt | data/2I/2IOG-IOG/2IOG-IOG_decoy_scores.csv |
2I3H-BTB | data/2I/2I3H-BTB/2I3H-BTB_ligand.pdbqt | data/2I/2I3H-BTB/2I3H-BTB_target.pdbqt | null | null |
2I4O-ATP | data/2I/2I4O-ATP/2I4O-ATP_ligand.pdbqt | data/2I/2I4O-ATP/2I4O-ATP_target.pdbqt | data/2I/2I4O-ATP/2I4O-ATP_decoys.pdbqt | data/2I/2I4O-ATP/2I4O-ATP_decoy_scores.csv |
2IYZ-ADP | data/2I/2IYZ-ADP/2IYZ-ADP_ligand.pdbqt | data/2I/2IYZ-ADP/2IYZ-ADP_target.pdbqt | data/2I/2IYZ-ADP/2IYZ-ADP_decoys.pdbqt | data/2I/2IYZ-ADP/2IYZ-ADP_decoy_scores.csv |
2I6A-5I5 | data/2I/2I6A-5I5/2I6A-5I5_ligand.pdbqt | data/2I/2I6A-5I5/2I6A-5I5_target.pdbqt | data/2I/2I6A-5I5/2I6A-5I5_decoys.pdbqt | data/2I/2I6A-5I5/2I6A-5I5_decoy_scores.csv |
2IRX-GTP | data/2I/2IRX-GTP/2IRX-GTP_ligand.pdbqt | data/2I/2IRX-GTP/2IRX-GTP_target.pdbqt | data/2I/2IRX-GTP/2IRX-GTP_decoys.pdbqt | data/2I/2IRX-GTP/2IRX-GTP_decoy_scores.csv |
2I0C-GLU | data/2I/2I0C-GLU/2I0C-GLU_ligand.pdbqt | data/2I/2I0C-GLU/2I0C-GLU_target.pdbqt | data/2I/2I0C-GLU/2I0C-GLU_decoys.pdbqt | data/2I/2I0C-GLU/2I0C-GLU_decoy_scores.csv |
2I57-AOS | data/2I/2I57-AOS/2I57-AOS_ligand.pdbqt | data/2I/2I57-AOS/2I57-AOS_target.pdbqt | data/2I/2I57-AOS/2I57-AOS_decoys.pdbqt | data/2I/2I57-AOS/2I57-AOS_decoy_scores.csv |
2IBA-AZA | data/2I/2IBA-AZA/2IBA-AZA_ligand.pdbqt | data/2I/2IBA-AZA/2IBA-AZA_target.pdbqt | data/2I/2IBA-AZA/2IBA-AZA_decoys.pdbqt | data/2I/2IBA-AZA/2IBA-AZA_decoy_scores.csv |
2IL2-LIX | data/2I/2IL2-LIX/2IL2-LIX_ligand.pdbqt | data/2I/2IL2-LIX/2IL2-LIX_target.pdbqt | data/2I/2IL2-LIX/2IL2-LIX_decoys.pdbqt | data/2I/2IL2-LIX/2IL2-LIX_decoy_scores.csv |
2I3A-BTB | data/2I/2I3A-BTB/2I3A-BTB_ligand.pdbqt | data/2I/2I3A-BTB/2I3A-BTB_target.pdbqt | data/2I/2I3A-BTB/2I3A-BTB_decoys.pdbqt | data/2I/2I3A-BTB/2I3A-BTB_decoy_scores.csv |
2IEO-017 | data/2I/2IEO-017/2IEO-017_ligand.pdbqt | data/2I/2IEO-017/2IEO-017_target.pdbqt | data/2I/2IEO-017/2IEO-017_decoys.pdbqt | data/2I/2IEO-017/2IEO-017_decoy_scores.csv |
2IJM-ADP | data/2I/2IJM-ADP/2IJM-ADP_ligand.pdbqt | data/2I/2IJM-ADP/2IJM-ADP_target.pdbqt | data/2I/2IJM-ADP/2IJM-ADP_decoys.pdbqt | data/2I/2IJM-ADP/2IJM-ADP_decoy_scores.csv |
2IJM-ATP | data/2I/2IJM-ATP/2IJM-ATP_ligand.pdbqt | data/2I/2IJM-ATP/2IJM-ATP_target.pdbqt | data/2I/2IJM-ATP/2IJM-ATP_decoys.pdbqt | data/2I/2IJM-ATP/2IJM-ATP_decoy_scores.csv |
2IEG-FRY | data/2I/2IEG-FRY/2IEG-FRY_ligand.pdbqt | data/2I/2IEG-FRY/2IEG-FRY_target.pdbqt | data/2I/2IEG-FRY/2IEG-FRY_decoys.pdbqt | data/2I/2IEG-FRY/2IEG-FRY_decoy_scores.csv |
2IYW-ATP | data/2I/2IYW-ATP/2IYW-ATP_ligand.pdbqt | data/2I/2IYW-ATP/2IYW-ATP_target.pdbqt | data/2I/2IYW-ATP/2IYW-ATP_decoys.pdbqt | data/2I/2IYW-ATP/2IYW-ATP_decoy_scores.csv |
2I0U-TRT | data/2I/2I0U-TRT/2I0U-TRT_ligand.pdbqt | data/2I/2I0U-TRT/2I0U-TRT_target.pdbqt | data/2I/2I0U-TRT/2I0U-TRT_decoys.pdbqt | data/2I/2I0U-TRT/2I0U-TRT_decoy_scores.csv |
2IX9-CXS | data/2I/2IX9-CXS/2IX9-CXS_ligand.pdbqt | data/2I/2IX9-CXS/2IX9-CXS_target.pdbqt | data/2I/2IX9-CXS/2IX9-CXS_decoys.pdbqt | data/2I/2IX9-CXS/2IX9-CXS_decoy_scores.csv |
2I03-AXD | data/2I/2I03-AXD/2I03-AXD_ligand.pdbqt | data/2I/2I03-AXD/2I03-AXD_target.pdbqt | data/2I/2I03-AXD/2I03-AXD_decoys.pdbqt | data/2I/2I03-AXD/2I03-AXD_decoy_scores.csv |
2IYA-UDP | data/2I/2IYA-UDP/2IYA-UDP_ligand.pdbqt | data/2I/2IYA-UDP/2IYA-UDP_target.pdbqt | data/2I/2IYA-UDP/2IYA-UDP_decoys.pdbqt | data/2I/2IYA-UDP/2IYA-UDP_decoy_scores.csv |
2IPF-FFA | data/2I/2IPF-FFA/2IPF-FFA_ligand.pdbqt | data/2I/2IPF-FFA/2IPF-FFA_target.pdbqt | data/2I/2IPF-FFA/2IPF-FFA_decoys.pdbqt | data/2I/2IPF-FFA/2IPF-FFA_decoy_scores.csv |
2ITN-ANP | data/2I/2ITN-ANP/2ITN-ANP_ligand.pdbqt | data/2I/2ITN-ANP/2ITN-ANP_target.pdbqt | data/2I/2ITN-ANP/2ITN-ANP_decoys.pdbqt | data/2I/2ITN-ANP/2ITN-ANP_decoy_scores.csv |
2IC5-GNP | data/2I/2IC5-GNP/2IC5-GNP_ligand.pdbqt | data/2I/2IC5-GNP/2IC5-GNP_target.pdbqt | data/2I/2IC5-GNP/2IC5-GNP_decoys.pdbqt | data/2I/2IC5-GNP/2IC5-GNP_decoy_scores.csv |
2IMK-GTX | data/2I/2IMK-GTX/2IMK-GTX_ligand.pdbqt | data/2I/2IMK-GTX/2IMK-GTX_target.pdbqt | data/2I/2IMK-GTX/2IMK-GTX_decoys.pdbqt | data/2I/2IMK-GTX/2IMK-GTX_decoy_scores.csv |
2IPM-BGC | data/2I/2IPM-BGC/2IPM-BGC_ligand.pdbqt | data/2I/2IPM-BGC/2IPM-BGC_target.pdbqt | data/2I/2IPM-BGC/2IPM-BGC_decoys.pdbqt | data/2I/2IPM-BGC/2IPM-BGC_decoy_scores.csv |
2IYV-ADP | data/2I/2IYV-ADP/2IYV-ADP_ligand.pdbqt | data/2I/2IYV-ADP/2IYV-ADP_target.pdbqt | data/2I/2IYV-ADP/2IYV-ADP_decoys.pdbqt | data/2I/2IYV-ADP/2IYV-ADP_decoy_scores.csv |
2ICQ-AZA | data/2I/2ICQ-AZA/2ICQ-AZA_ligand.pdbqt | data/2I/2ICQ-AZA/2ICQ-AZA_target.pdbqt | data/2I/2ICQ-AZA/2ICQ-AZA_decoys.pdbqt | data/2I/2ICQ-AZA/2ICQ-AZA_decoy_scores.csv |
2I02-FMN | data/2I/2I02-FMN/2I02-FMN_ligand.pdbqt | data/2I/2I02-FMN/2I02-FMN_target.pdbqt | data/2I/2I02-FMN/2I02-FMN_decoys.pdbqt | data/2I/2I02-FMN/2I02-FMN_decoy_scores.csv |
2I2B-CC5 | data/2I/2I2B-CC5/2I2B-CC5_ligand.pdbqt | data/2I/2I2B-CC5/2I2B-CC5_target.pdbqt | data/2I/2I2B-CC5/2I2B-CC5_decoys.pdbqt | data/2I/2I2B-CC5/2I2B-CC5_decoy_scores.csv |
2IPX-MTA | data/2I/2IPX-MTA/2IPX-MTA_ligand.pdbqt | data/2I/2IPX-MTA/2IPX-MTA_target.pdbqt | data/2I/2IPX-MTA/2IPX-MTA_decoys.pdbqt | data/2I/2IPX-MTA/2IPX-MTA_decoy_scores.csv |
2I5P-GLC | data/2I/2I5P-GLC/2I5P-GLC_ligand.pdbqt | data/2I/2I5P-GLC/2I5P-GLC_target.pdbqt | data/2I/2I5P-GLC/2I5P-GLC_decoys.pdbqt | data/2I/2I5P-GLC/2I5P-GLC_decoy_scores.csv |
2IME-CXS | data/2I/2IME-CXS/2IME-CXS_ligand.pdbqt | data/2I/2IME-CXS/2IME-CXS_target.pdbqt | data/2I/2IME-CXS/2IME-CXS_decoys.pdbqt | data/2I/2IME-CXS/2IME-CXS_decoy_scores.csv |
2IKF-UTP | data/2I/2IKF-UTP/2IKF-UTP_ligand.pdbqt | data/2I/2IKF-UTP/2IKF-UTP_target.pdbqt | data/2I/2IKF-UTP/2IKF-UTP_decoys.pdbqt | data/2I/2IKF-UTP/2IKF-UTP_decoy_scores.csv |
2IEI-FRX | data/2I/2IEI-FRX/2IEI-FRX_ligand.pdbqt | data/2I/2IEI-FRX/2IEI-FRX_target.pdbqt | data/2I/2IEI-FRX/2IEI-FRX_decoys.pdbqt | data/2I/2IEI-FRX/2IEI-FRX_decoy_scores.csv |
2IYQ-SKM | data/2I/2IYQ-SKM/2IYQ-SKM_ligand.pdbqt | data/2I/2IYQ-SKM/2IYQ-SKM_target.pdbqt | data/2I/2IYQ-SKM/2IYQ-SKM_decoys.pdbqt | data/2I/2IYQ-SKM/2IYQ-SKM_decoy_scores.csv |
2IVU-ZD6 | data/2I/2IVU-ZD6/2IVU-ZD6_ligand.pdbqt | data/2I/2IVU-ZD6/2IVU-ZD6_target.pdbqt | data/2I/2IVU-ZD6/2IVU-ZD6_decoys.pdbqt | data/2I/2IVU-ZD6/2IVU-ZD6_decoy_scores.csv |
2IUQ-TSS | data/2I/2IUQ-TSS/2IUQ-TSS_ligand.pdbqt | data/2I/2IUQ-TSS/2IUQ-TSS_target.pdbqt | data/2I/2IUQ-TSS/2IUQ-TSS_decoys.pdbqt | data/2I/2IUQ-TSS/2IUQ-TSS_decoy_scores.csv |
2I20-LI1 | data/2I/2I20-LI1/2I20-LI1_ligand.pdbqt | data/2I/2I20-LI1/2I20-LI1_target.pdbqt | data/2I/2I20-LI1/2I20-LI1_decoys.pdbqt | data/2I/2I20-LI1/2I20-LI1_decoy_scores.csv |
2I1V-F6P | data/2I/2I1V-F6P/2I1V-F6P_ligand.pdbqt | data/2I/2I1V-F6P/2I1V-F6P_target.pdbqt | data/2I/2I1V-F6P/2I1V-F6P_decoys.pdbqt | data/2I/2I1V-F6P/2I1V-F6P_decoy_scores.csv |
2IS0-I03 | data/2I/2IS0-I03/2IS0-I03_ligand.pdbqt | data/2I/2IS0-I03/2IS0-I03_target.pdbqt | data/2I/2IS0-I03/2IS0-I03_decoys.pdbqt | data/2I/2IS0-I03/2IS0-I03_decoy_scores.csv |
2IYS-SKM | data/2I/2IYS-SKM/2IYS-SKM_ligand.pdbqt | data/2I/2IYS-SKM/2IYS-SKM_target.pdbqt | data/2I/2IYS-SKM/2IYS-SKM_decoys.pdbqt | data/2I/2IYS-SKM/2IYS-SKM_decoy_scores.csv |
2IC0-AZA | data/2I/2IC0-AZA/2IC0-AZA_ligand.pdbqt | data/2I/2IC0-AZA/2IC0-AZA_target.pdbqt | null | null |
2ILT-NN1 | data/2I/2ILT-NN1/2ILT-NN1_ligand.pdbqt | data/2I/2ILT-NN1/2ILT-NN1_target.pdbqt | data/2I/2ILT-NN1/2ILT-NN1_decoys.pdbqt | data/2I/2ILT-NN1/2ILT-NN1_decoy_scores.csv |
2IZL-IMI | data/2I/2IZL-IMI/2IZL-IMI_ligand.pdbqt | data/2I/2IZL-IMI/2IZL-IMI_target.pdbqt | data/2I/2IZL-IMI/2IZL-IMI_decoys.pdbqt | data/2I/2IZL-IMI/2IZL-IMI_decoy_scores.csv |
2IGC-MTN | data/2I/2IGC-MTN/2IGC-MTN_ligand.pdbqt | data/2I/2IGC-MTN/2IGC-MTN_target.pdbqt | data/2I/2IGC-MTN/2IGC-MTN_decoys.pdbqt | data/2I/2IGC-MTN/2IGC-MTN_decoy_scores.csv |
2I66-G1R | data/2I/2I66-G1R/2I66-G1R_ligand.pdbqt | data/2I/2I66-G1R/2I66-G1R_target.pdbqt | data/2I/2I66-G1R/2I66-G1R_decoys.pdbqt | data/2I/2I66-G1R/2I66-G1R_decoy_scores.csv |
2IC8-BNG | data/2I/2IC8-BNG/2IC8-BNG_ligand.pdbqt | data/2I/2IC8-BNG/2IC8-BNG_target.pdbqt | data/2I/2IC8-BNG/2IC8-BNG_decoys.pdbqt | data/2I/2IC8-BNG/2IC8-BNG_decoy_scores.csv |
2IS7-2CL | data/2I/2IS7-2CL/2IS7-2CL_ligand.pdbqt | data/2I/2IS7-2CL/2IS7-2CL_target.pdbqt | data/2I/2IS7-2CL/2IS7-2CL_decoys.pdbqt | data/2I/2IS7-2CL/2IS7-2CL_decoy_scores.csv |
2IUT-AGS | data/2I/2IUT-AGS/2IUT-AGS_ligand.pdbqt | data/2I/2IUT-AGS/2IUT-AGS_target.pdbqt | data/2I/2IUT-AGS/2IUT-AGS_decoys.pdbqt | data/2I/2IUT-AGS/2IUT-AGS_decoy_scores.csv |
2IMF-CXS | data/2I/2IMF-CXS/2IMF-CXS_ligand.pdbqt | data/2I/2IMF-CXS/2IMF-CXS_target.pdbqt | data/2I/2IMF-CXS/2IMF-CXS_decoys.pdbqt | data/2I/2IMF-CXS/2IMF-CXS_decoy_scores.csv |
2I7C-1PG | data/2I/2I7C-1PG/2I7C-1PG_ligand.pdbqt | data/2I/2I7C-1PG/2I7C-1PG_target.pdbqt | data/2I/2I7C-1PG/2I7C-1PG_decoys.pdbqt | data/2I/2I7C-1PG/2I7C-1PG_decoy_scores.csv |
2IZK-GLL | data/2I/2IZK-GLL/2IZK-GLL_ligand.pdbqt | data/2I/2IZK-GLL/2IZK-GLL_target.pdbqt | data/2I/2IZK-GLL/2IZK-GLL_decoys.pdbqt | data/2I/2IZK-GLL/2IZK-GLL_decoy_scores.csv |
2IFA-FMN | data/2I/2IFA-FMN/2IFA-FMN_ligand.pdbqt | data/2I/2IFA-FMN/2IFA-FMN_target.pdbqt | data/2I/2IFA-FMN/2IFA-FMN_decoys.pdbqt | data/2I/2IFA-FMN/2IFA-FMN_decoy_scores.csv |
2IX0-C5P | data/2I/2IX0-C5P/2IX0-C5P_ligand.pdbqt | data/2I/2IX0-C5P/2IX0-C5P_target.pdbqt | data/2I/2IX0-C5P/2IX0-C5P_decoys.pdbqt | data/2I/2IX0-C5P/2IX0-C5P_decoy_scores.csv |
2I5X-UA5 | data/2I/2I5X-UA5/2I5X-UA5_ligand.pdbqt | data/2I/2I5X-UA5/2I5X-UA5_target.pdbqt | data/2I/2I5X-UA5/2I5X-UA5_decoys.pdbqt | data/2I/2I5X-UA5/2I5X-UA5_decoy_scores.csv |
2IMD-TOH | data/2I/2IMD-TOH/2IMD-TOH_ligand.pdbqt | data/2I/2IMD-TOH/2IMD-TOH_target.pdbqt | data/2I/2IMD-TOH/2IMD-TOH_decoys.pdbqt | data/2I/2IMD-TOH/2IMD-TOH_decoy_scores.csv |
2I2D-A2D | data/2I/2I2D-A2D/2I2D-A2D_ligand.pdbqt | data/2I/2I2D-A2D/2I2D-A2D_target.pdbqt | data/2I/2I2D-A2D/2I2D-A2D_decoys.pdbqt | data/2I/2I2D-A2D/2I2D-A2D_decoy_scores.csv |
2IO6-330 | data/2I/2IO6-330/2IO6-330_ligand.pdbqt | data/2I/2IO6-330/2IO6-330_target.pdbqt | data/2I/2IO6-330/2IO6-330_decoys.pdbqt | data/2I/2IO6-330/2IO6-330_decoy_scores.csv |
2I2Q-LDA | data/2I/2I2Q-LDA/2I2Q-LDA_ligand.pdbqt | data/2I/2I2Q-LDA/2I2Q-LDA_target.pdbqt | data/2I/2I2Q-LDA/2I2Q-LDA_decoys.pdbqt | data/2I/2I2Q-LDA/2I2Q-LDA_decoy_scores.csv |
2IVI-ACW | data/2I/2IVI-ACW/2IVI-ACW_ligand.pdbqt | data/2I/2IVI-ACW/2IVI-ACW_target.pdbqt | data/2I/2IVI-ACW/2IVI-ACW_decoys.pdbqt | data/2I/2IVI-ACW/2IVI-ACW_decoy_scores.csv |
2I6K-EA2 | data/2I/2I6K-EA2/2I6K-EA2_ligand.pdbqt | data/2I/2I6K-EA2/2I6K-EA2_target.pdbqt | data/2I/2I6K-EA2/2I6K-EA2_decoys.pdbqt | data/2I/2I6K-EA2/2I6K-EA2_decoy_scores.csv |
2IJN-221 | data/2I/2IJN-221/2IJN-221_ligand.pdbqt | data/2I/2IJN-221/2IJN-221_target.pdbqt | data/2I/2IJN-221/2IJN-221_decoys.pdbqt | data/2I/2IJN-221/2IJN-221_decoy_scores.csv |
2I5N-NS5 | data/2I/2I5N-NS5/2I5N-NS5_ligand.pdbqt | data/2I/2I5N-NS5/2I5N-NS5_target.pdbqt | data/2I/2I5N-NS5/2I5N-NS5_decoys.pdbqt | data/2I/2I5N-NS5/2I5N-NS5_decoy_scores.csv |
2I5N-LDA | data/2I/2I5N-LDA/2I5N-LDA_ligand.pdbqt | data/2I/2I5N-LDA/2I5N-LDA_target.pdbqt | data/2I/2I5N-LDA/2I5N-LDA_decoys.pdbqt | data/2I/2I5N-LDA/2I5N-LDA_decoy_scores.csv |
2IOY-RIP | data/2I/2IOY-RIP/2IOY-RIP_ligand.pdbqt | data/2I/2IOY-RIP/2IOY-RIP_target.pdbqt | data/2I/2IOY-RIP/2IOY-RIP_decoys.pdbqt | data/2I/2IOY-RIP/2IOY-RIP_decoy_scores.csv |
2IXB-NAD | data/2I/2IXB-NAD/2IXB-NAD_ligand.pdbqt | data/2I/2IXB-NAD/2IXB-NAD_target.pdbqt | data/2I/2IXB-NAD/2IXB-NAD_decoys.pdbqt | data/2I/2IXB-NAD/2IXB-NAD_decoy_scores.csv |
2IOD-MYC | data/2I/2IOD-MYC/2IOD-MYC_ligand.pdbqt | data/2I/2IOD-MYC/2IOD-MYC_target.pdbqt | data/2I/2IOD-MYC/2IOD-MYC_decoys.pdbqt | data/2I/2IOD-MYC/2IOD-MYC_decoy_scores.csv |
2IZU-P01 | data/2I/2IZU-P01/2IZU-P01_ligand.pdbqt | data/2I/2IZU-P01/2IZU-P01_target.pdbqt | data/2I/2IZU-P01/2IZU-P01_decoys.pdbqt | data/2I/2IZU-P01/2IZU-P01_decoy_scores.csv |
2IYO-6PG | data/2I/2IYO-6PG/2IYO-6PG_ligand.pdbqt | data/2I/2IYO-6PG/2IYO-6PG_target.pdbqt | data/2I/2IYO-6PG/2IYO-6PG_decoys.pdbqt | data/2I/2IYO-6PG/2IYO-6PG_decoy_scores.csv |
2ICH-NHE | data/2I/2ICH-NHE/2ICH-NHE_ligand.pdbqt | data/2I/2ICH-NHE/2ICH-NHE_target.pdbqt | data/2I/2ICH-NHE/2ICH-NHE_decoys.pdbqt | data/2I/2ICH-NHE/2ICH-NHE_decoy_scores.csv |
2I62-SAH | data/2I/2I62-SAH/2I62-SAH_ligand.pdbqt | data/2I/2I62-SAH/2I62-SAH_target.pdbqt | data/2I/2I62-SAH/2I62-SAH_decoys.pdbqt | data/2I/2I62-SAH/2I62-SAH_decoy_scores.csv |
2IW8-4SP | data/2I/2IW8-4SP/2IW8-4SP_ligand.pdbqt | data/2I/2IW8-4SP/2IW8-4SP_target.pdbqt | data/2I/2IW8-4SP/2IW8-4SP_decoys.pdbqt | data/2I/2IW8-4SP/2IW8-4SP_decoy_scores.csv |
2ITK-PE4 | data/2I/2ITK-PE4/2ITK-PE4_ligand.pdbqt | data/2I/2ITK-PE4/2ITK-PE4_target.pdbqt | data/2I/2ITK-PE4/2ITK-PE4_decoys.pdbqt | data/2I/2ITK-PE4/2ITK-PE4_decoy_scores.csv |
2I9V-HC4 | data/2I/2I9V-HC4/2I9V-HC4_ligand.pdbqt | data/2I/2I9V-HC4/2I9V-HC4_target.pdbqt | data/2I/2I9V-HC4/2I9V-HC4_decoys.pdbqt | data/2I/2I9V-HC4/2I9V-HC4_decoy_scores.csv |
2INQ-MT1 | data/2I/2INQ-MT1/2INQ-MT1_ligand.pdbqt | data/2I/2INQ-MT1/2INQ-MT1_target.pdbqt | null | null |
2ISV-PGH | data/2I/2ISV-PGH/2ISV-PGH_ligand.pdbqt | data/2I/2ISV-PGH/2ISV-PGH_target.pdbqt | data/2I/2ISV-PGH/2ISV-PGH_decoys.pdbqt | data/2I/2ISV-PGH/2ISV-PGH_decoy_scores.csv |
2IBN-I1N | data/2I/2IBN-I1N/2IBN-I1N_ligand.pdbqt | data/2I/2IBN-I1N/2IBN-I1N_target.pdbqt | data/2I/2IBN-I1N/2IBN-I1N_decoys.pdbqt | data/2I/2IBN-I1N/2IBN-I1N_decoy_scores.csv |
2I4U-DJR | data/2I/2I4U-DJR/2I4U-DJR_ligand.pdbqt | data/2I/2I4U-DJR/2I4U-DJR_target.pdbqt | data/2I/2I4U-DJR/2I4U-DJR_decoys.pdbqt | data/2I/2I4U-DJR/2I4U-DJR_decoy_scores.csv |
2ISJ-FMN | data/2I/2ISJ-FMN/2ISJ-FMN_ligand.pdbqt | data/2I/2ISJ-FMN/2ISJ-FMN_target.pdbqt | data/2I/2ISJ-FMN/2ISJ-FMN_decoys.pdbqt | data/2I/2ISJ-FMN/2ISJ-FMN_decoy_scores.csv |
2I5N-UQ1 | data/2I/2I5N-UQ1/2I5N-UQ1_ligand.pdbqt | data/2I/2I5N-UQ1/2I5N-UQ1_target.pdbqt | data/2I/2I5N-UQ1/2I5N-UQ1_decoys.pdbqt | data/2I/2I5N-UQ1/2I5N-UQ1_decoy_scores.csv |
2IGB-U5P | data/2I/2IGB-U5P/2IGB-U5P_ligand.pdbqt | data/2I/2IGB-U5P/2IGB-U5P_target.pdbqt | data/2I/2IGB-U5P/2IGB-U5P_decoys.pdbqt | data/2I/2IGB-U5P/2IGB-U5P_decoy_scores.csv |
2I1Q-ANP | data/2I/2I1Q-ANP/2I1Q-ANP_ligand.pdbqt | data/2I/2I1Q-ANP/2I1Q-ANP_target.pdbqt | data/2I/2I1Q-ANP/2I1Q-ANP_decoys.pdbqt | data/2I/2I1Q-ANP/2I1Q-ANP_decoy_scores.csv |
2IWX-M1S | data/2I/2IWX-M1S/2IWX-M1S_ligand.pdbqt | data/2I/2IWX-M1S/2IWX-M1S_target.pdbqt | data/2I/2IWX-M1S/2IWX-M1S_decoys.pdbqt | data/2I/2IWX-M1S/2IWX-M1S_decoy_scores.csv |
2I4J-DRJ | data/2I/2I4J-DRJ/2I4J-DRJ_ligand.pdbqt | data/2I/2I4J-DRJ/2I4J-DRJ_target.pdbqt | data/2I/2I4J-DRJ/2I4J-DRJ_decoys.pdbqt | data/2I/2I4J-DRJ/2I4J-DRJ_decoy_scores.csv |
2IU8-PLM | data/2I/2IU8-PLM/2IU8-PLM_ligand.pdbqt | data/2I/2IU8-PLM/2IU8-PLM_target.pdbqt | data/2I/2IU8-PLM/2IU8-PLM_decoys.pdbqt | data/2I/2IU8-PLM/2IU8-PLM_decoy_scores.csv |
2IYL-GDP | data/2I/2IYL-GDP/2IYL-GDP_ligand.pdbqt | data/2I/2IYL-GDP/2IYL-GDP_target.pdbqt | data/2I/2IYL-GDP/2IYL-GDP_decoys.pdbqt | data/2I/2IYL-GDP/2IYL-GDP_decoy_scores.csv |
2I8T-GDD | data/2I/2I8T-GDD/2I8T-GDD_ligand.pdbqt | data/2I/2I8T-GDD/2I8T-GDD_target.pdbqt | data/2I/2I8T-GDD/2I8T-GDD_decoys.pdbqt | data/2I/2I8T-GDD/2I8T-GDD_decoy_scores.csv |
2I21-SQU | data/2I/2I21-SQU/2I21-SQU_ligand.pdbqt | data/2I/2I21-SQU/2I21-SQU_target.pdbqt | data/2I/2I21-SQU/2I21-SQU_decoys.pdbqt | data/2I/2I21-SQU/2I21-SQU_decoy_scores.csv |
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