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 ⌀ |
|---|---|---|---|---|
3IPE-JZE | data/3I/3IPE-JZE/3IPE-JZE_ligand.pdbqt | data/3I/3IPE-JZE/3IPE-JZE_target.pdbqt | data/3I/3IPE-JZE/3IPE-JZE_decoys.pdbqt | data/3I/3IPE-JZE/3IPE-JZE_decoy_scores.csv |
3IC0-B77 | data/3I/3IC0-B77/3IC0-B77_ligand.pdbqt | data/3I/3IC0-B77/3IC0-B77_target.pdbqt | data/3I/3IC0-B77/3IC0-B77_decoys.pdbqt | data/3I/3IC0-B77/3IC0-B77_decoy_scores.csv |
3IP8-B85 | data/3I/3IP8-B85/3IP8-B85_ligand.pdbqt | data/3I/3IP8-B85/3IP8-B85_target.pdbqt | data/3I/3IP8-B85/3IP8-B85_decoys.pdbqt | data/3I/3IP8-B85/3IP8-B85_decoy_scores.csv |
3I2I-DBC | data/3I/3I2I-DBC/3I2I-DBC_ligand.pdbqt | data/3I/3I2I-DBC/3I2I-DBC_target.pdbqt | data/3I/3I2I-DBC/3I2I-DBC_decoys.pdbqt | data/3I/3I2I-DBC/3I2I-DBC_decoy_scores.csv |
3IL1-GLU | data/3I/3IL1-GLU/3IL1-GLU_ligand.pdbqt | data/3I/3IL1-GLU/3IL1-GLU_target.pdbqt | data/3I/3IL1-GLU/3IL1-GLU_decoys.pdbqt | data/3I/3IL1-GLU/3IL1-GLU_decoy_scores.csv |
3IX3-OHN | data/3I/3IX3-OHN/3IX3-OHN_ligand.pdbqt | data/3I/3IX3-OHN/3IX3-OHN_target.pdbqt | data/3I/3IX3-OHN/3IX3-OHN_decoys.pdbqt | data/3I/3IX3-OHN/3IX3-OHN_decoy_scores.csv |
3I81-EBI | data/3I/3I81-EBI/3I81-EBI_ligand.pdbqt | data/3I/3I81-EBI/3I81-EBI_target.pdbqt | data/3I/3I81-EBI/3I81-EBI_decoys.pdbqt | data/3I/3I81-EBI/3I81-EBI_decoy_scores.csv |
3I68-FMN | data/3I/3I68-FMN/3I68-FMN_ligand.pdbqt | data/3I/3I68-FMN/3I68-FMN_target.pdbqt | data/3I/3I68-FMN/3I68-FMN_decoys.pdbqt | data/3I/3I68-FMN/3I68-FMN_decoy_scores.csv |
3I60-E86 | data/3I/3I60-E86/3I60-E86_ligand.pdbqt | data/3I/3I60-E86/3I60-E86_target.pdbqt | data/3I/3I60-E86/3I60-E86_decoys.pdbqt | data/3I/3I60-E86/3I60-E86_decoy_scores.csv |
3I5W-FLC | data/3I/3I5W-FLC/3I5W-FLC_ligand.pdbqt | data/3I/3I5W-FLC/3I5W-FLC_target.pdbqt | data/3I/3I5W-FLC/3I5W-FLC_decoys.pdbqt | data/3I/3I5W-FLC/3I5W-FLC_decoy_scores.csv |
3ISS-EPU | data/3I/3ISS-EPU/3ISS-EPU_ligand.pdbqt | data/3I/3ISS-EPU/3ISS-EPU_target.pdbqt | data/3I/3ISS-EPU/3ISS-EPU_decoys.pdbqt | data/3I/3ISS-EPU/3ISS-EPU_decoy_scores.csv |
3IU8-T03 | data/3I/3IU8-T03/3IU8-T03_ligand.pdbqt | data/3I/3IU8-T03/3IU8-T03_target.pdbqt | data/3I/3IU8-T03/3IU8-T03_decoys.pdbqt | data/3I/3IU8-T03/3IU8-T03_decoy_scores.csv |
3IC2-B78 | data/3I/3IC2-B78/3IC2-B78_ligand.pdbqt | data/3I/3IC2-B78/3IC2-B78_target.pdbqt | data/3I/3IC2-B78/3IC2-B78_decoys.pdbqt | data/3I/3IC2-B78/3IC2-B78_decoy_scores.csv |
3IVX-FG6 | data/3I/3IVX-FG6/3IVX-FG6_ligand.pdbqt | data/3I/3IVX-FG6/3IVX-FG6_target.pdbqt | data/3I/3IVX-FG6/3IVX-FG6_decoys.pdbqt | data/3I/3IVX-FG6/3IVX-FG6_decoy_scores.csv |
3IEQ-C | data/3I/3IEQ-C/3IEQ-C_ligand.pdbqt | data/3I/3IEQ-C/3IEQ-C_target.pdbqt | data/3I/3IEQ-C/3IEQ-C_decoys.pdbqt | data/3I/3IEQ-C/3IEQ-C_decoy_scores.csv |
3IBN-O60 | data/3I/3IBN-O60/3IBN-O60_ligand.pdbqt | data/3I/3IBN-O60/3IBN-O60_target.pdbqt | data/3I/3IBN-O60/3IBN-O60_decoys.pdbqt | data/3I/3IBN-O60/3IBN-O60_decoy_scores.csv |
3IMV-IW5 | data/3I/3IMV-IW5/3IMV-IW5_ligand.pdbqt | data/3I/3IMV-IW5/3IMV-IW5_target.pdbqt | data/3I/3IMV-IW5/3IMV-IW5_decoys.pdbqt | data/3I/3IMV-IW5/3IMV-IW5_decoy_scores.csv |
3IVG-FG5 | data/3I/3IVG-FG5/3IVG-FG5_ligand.pdbqt | data/3I/3IVG-FG5/3IVG-FG5_target.pdbqt | data/3I/3IVG-FG5/3IVG-FG5_decoys.pdbqt | data/3I/3IVG-FG5/3IVG-FG5_decoy_scores.csv |
3IKP-IPD | data/3I/3IKP-IPD/3IKP-IPD_ligand.pdbqt | data/3I/3IKP-IPD/3IKP-IPD_target.pdbqt | data/3I/3IKP-IPD/3IKP-IPD_decoys.pdbqt | data/3I/3IKP-IPD/3IKP-IPD_decoy_scores.csv |
3IWE-646 | data/3I/3IWE-646/3IWE-646_ligand.pdbqt | data/3I/3IWE-646/3IWE-646_target.pdbqt | data/3I/3IWE-646/3IWE-646_decoys.pdbqt | data/3I/3IWE-646/3IWE-646_decoy_scores.csv |
3I7V-ATP | data/3I/3I7V-ATP/3I7V-ATP_ligand.pdbqt | data/3I/3I7V-ATP/3I7V-ATP_target.pdbqt | data/3I/3I7V-ATP/3I7V-ATP_decoys.pdbqt | data/3I/3I7V-ATP/3I7V-ATP_decoy_scores.csv |
3IR5-AGA | data/3I/3IR5-AGA/3IR5-AGA_ligand.pdbqt | data/3I/3IR5-AGA/3IR5-AGA_target.pdbqt | null | null |
3ICT-ADP | data/3I/3ICT-ADP/3ICT-ADP_ligand.pdbqt | data/3I/3ICT-ADP/3ICT-ADP_target.pdbqt | data/3I/3ICT-ADP/3ICT-ADP_decoys.pdbqt | data/3I/3ICT-ADP/3ICT-ADP_decoy_scores.csv |
3IMT-IW3 | data/3I/3IMT-IW3/3IMT-IW3_ligand.pdbqt | data/3I/3IMT-IW3/3IMT-IW3_target.pdbqt | data/3I/3IMT-IW3/3IMT-IW3_decoys.pdbqt | data/3I/3IMT-IW3/3IMT-IW3_decoy_scores.csv |
3I51-45C | data/3I/3I51-45C/3I51-45C_ligand.pdbqt | data/3I/3I51-45C/3I51-45C_target.pdbqt | data/3I/3I51-45C/3I51-45C_decoys.pdbqt | data/3I/3I51-45C/3I51-45C_decoy_scores.csv |
3I0D-UDP | data/3I/3I0D-UDP/3I0D-UDP_ligand.pdbqt | data/3I/3I0D-UDP/3I0D-UDP_target.pdbqt | data/3I/3I0D-UDP/3I0D-UDP_decoys.pdbqt | data/3I/3I0D-UDP/3I0D-UDP_decoy_scores.csv |
3IOQ-E64 | data/3I/3IOQ-E64/3IOQ-E64_ligand.pdbqt | data/3I/3IOQ-E64/3IOQ-E64_target.pdbqt | data/3I/3IOQ-E64/3IOQ-E64_decoys.pdbqt | data/3I/3IOQ-E64/3IOQ-E64_decoy_scores.csv |
3IK6-HCZ | data/3I/3IK6-HCZ/3IK6-HCZ_ligand.pdbqt | data/3I/3IK6-HCZ/3IK6-HCZ_target.pdbqt | data/3I/3IK6-HCZ/3IK6-HCZ_decoys.pdbqt | data/3I/3IK6-HCZ/3IK6-HCZ_decoy_scores.csv |
3IIM-DAT | data/3I/3IIM-DAT/3IIM-DAT_ligand.pdbqt | data/3I/3IIM-DAT/3IIM-DAT_target.pdbqt | data/3I/3IIM-DAT/3IIM-DAT_decoys.pdbqt | data/3I/3IIM-DAT/3IIM-DAT_decoy_scores.csv |
3I0I-UDP | data/3I/3I0I-UDP/3I0I-UDP_ligand.pdbqt | data/3I/3I0I-UDP/3I0I-UDP_target.pdbqt | data/3I/3I0I-UDP/3I0I-UDP_decoys.pdbqt | data/3I/3I0I-UDP/3I0I-UDP_decoy_scores.csv |
3IOF-IFS | data/3I/3IOF-IFS/3IOF-IFS_ligand.pdbqt | data/3I/3IOF-IFS/3IOF-IFS_target.pdbqt | data/3I/3IOF-IFS/3IOF-IFS_decoys.pdbqt | data/3I/3IOF-IFS/3IOF-IFS_decoy_scores.csv |
3IEW-CDP | data/3I/3IEW-CDP/3IEW-CDP_ligand.pdbqt | data/3I/3IEW-CDP/3IEW-CDP_target.pdbqt | data/3I/3IEW-CDP/3IEW-CDP_decoys.pdbqt | data/3I/3IEW-CDP/3IEW-CDP_decoy_scores.csv |
3I4L-ANP | data/3I/3I4L-ANP/3I4L-ANP_ligand.pdbqt | data/3I/3I4L-ANP/3I4L-ANP_target.pdbqt | data/3I/3I4L-ANP/3I4L-ANP_decoys.pdbqt | data/3I/3I4L-ANP/3I4L-ANP_decoy_scores.csv |
3INJ-BXB | data/3I/3INJ-BXB/3INJ-BXB_ligand.pdbqt | data/3I/3INJ-BXB/3INJ-BXB_target.pdbqt | data/3I/3INJ-BXB/3INJ-BXB_decoys.pdbqt | data/3I/3INJ-BXB/3INJ-BXB_decoy_scores.csv |
3ID8-ANP | data/3I/3ID8-ANP/3ID8-ANP_ligand.pdbqt | data/3I/3ID8-ANP/3ID8-ANP_target.pdbqt | data/3I/3ID8-ANP/3ID8-ANP_decoys.pdbqt | data/3I/3ID8-ANP/3ID8-ANP_decoy_scores.csv |
3I4B-Z48 | data/3I/3I4B-Z48/3I4B-Z48_ligand.pdbqt | data/3I/3I4B-Z48/3I4B-Z48_target.pdbqt | data/3I/3I4B-Z48/3I4B-Z48_decoys.pdbqt | data/3I/3I4B-Z48/3I4B-Z48_decoy_scores.csv |
3I54-CMP | data/3I/3I54-CMP/3I54-CMP_ligand.pdbqt | data/3I/3I54-CMP/3I54-CMP_target.pdbqt | data/3I/3I54-CMP/3I54-CMP_decoys.pdbqt | data/3I/3I54-CMP/3I54-CMP_decoy_scores.csv |
3I0O-SMI | data/3I/3I0O-SMI/3I0O-SMI_ligand.pdbqt | data/3I/3I0O-SMI/3I0O-SMI_target.pdbqt | data/3I/3I0O-SMI/3I0O-SMI_decoys.pdbqt | data/3I/3I0O-SMI/3I0O-SMI_decoy_scores.csv |
3I33-ADP | data/3I/3I33-ADP/3I33-ADP_ligand.pdbqt | data/3I/3I33-ADP/3I33-ADP_target.pdbqt | data/3I/3I33-ADP/3I33-ADP_decoys.pdbqt | data/3I/3I33-ADP/3I33-ADP_decoy_scores.csv |
3I68-ORO | data/3I/3I68-ORO/3I68-ORO_ligand.pdbqt | data/3I/3I68-ORO/3I68-ORO_target.pdbqt | data/3I/3I68-ORO/3I68-ORO_decoys.pdbqt | data/3I/3I68-ORO/3I68-ORO_decoy_scores.csv |
3IAP-BTB | data/3I/3IAP-BTB/3IAP-BTB_ligand.pdbqt | data/3I/3IAP-BTB/3IAP-BTB_target.pdbqt | data/3I/3IAP-BTB/3IAP-BTB_decoys.pdbqt | data/3I/3IAP-BTB/3IAP-BTB_decoy_scores.csv |
3IKN-GAL | data/3I/3IKN-GAL/3IKN-GAL_ligand.pdbqt | data/3I/3IKN-GAL/3IKN-GAL_target.pdbqt | data/3I/3IKN-GAL/3IKN-GAL_decoys.pdbqt | data/3I/3IKN-GAL/3IKN-GAL_decoy_scores.csv |
3IU2-096 | data/3I/3IU2-096/3IU2-096_ligand.pdbqt | data/3I/3IU2-096/3IU2-096_target.pdbqt | data/3I/3IU2-096/3IU2-096_decoys.pdbqt | data/3I/3IU2-096/3IU2-096_decoy_scores.csv |
3I3B-149 | data/3I/3I3B-149/3I3B-149_ligand.pdbqt | data/3I/3I3B-149/3I3B-149_target.pdbqt | data/3I/3I3B-149/3I3B-149_decoys.pdbqt | data/3I/3I3B-149/3I3B-149_decoy_scores.csv |
3ISI-B88 | data/3I/3ISI-B88/3ISI-B88_ligand.pdbqt | data/3I/3ISI-B88/3ISI-B88_target.pdbqt | data/3I/3ISI-B88/3ISI-B88_decoys.pdbqt | data/3I/3ISI-B88/3ISI-B88_decoy_scores.csv |
3ITI-BEN | data/3I/3ITI-BEN/3ITI-BEN_ligand.pdbqt | data/3I/3ITI-BEN/3ITI-BEN_target.pdbqt | data/3I/3ITI-BEN/3ITI-BEN_decoys.pdbqt | data/3I/3ITI-BEN/3ITI-BEN_decoy_scores.csv |
3I9K-NAD | data/3I/3I9K-NAD/3I9K-NAD_ligand.pdbqt | data/3I/3I9K-NAD/3I9K-NAD_target.pdbqt | data/3I/3I9K-NAD/3I9K-NAD_decoys.pdbqt | data/3I/3I9K-NAD/3I9K-NAD_decoy_scores.csv |
3IHG-VAK | data/3I/3IHG-VAK/3IHG-VAK_ligand.pdbqt | data/3I/3IHG-VAK/3IHG-VAK_target.pdbqt | data/3I/3IHG-VAK/3IHG-VAK_decoys.pdbqt | data/3I/3IHG-VAK/3IHG-VAK_decoy_scores.csv |
3I4X-DST | data/3I/3I4X-DST/3I4X-DST_ligand.pdbqt | data/3I/3I4X-DST/3I4X-DST_target.pdbqt | data/3I/3I4X-DST/3I4X-DST_decoys.pdbqt | data/3I/3I4X-DST/3I4X-DST_decoy_scores.csv |
3ICS-ADP | data/3I/3ICS-ADP/3ICS-ADP_ligand.pdbqt | data/3I/3ICS-ADP/3ICS-ADP_target.pdbqt | data/3I/3ICS-ADP/3ICS-ADP_decoys.pdbqt | data/3I/3ICS-ADP/3ICS-ADP_decoy_scores.csv |
3I7E-DJR | data/3I/3I7E-DJR/3I7E-DJR_ligand.pdbqt | data/3I/3I7E-DJR/3I7E-DJR_target.pdbqt | data/3I/3I7E-DJR/3I7E-DJR_decoys.pdbqt | data/3I/3I7E-DJR/3I7E-DJR_decoy_scores.csv |
3IJ8-B9D | data/3I/3IJ8-B9D/3IJ8-B9D_ligand.pdbqt | data/3I/3IJ8-B9D/3IJ8-B9D_target.pdbqt | data/3I/3IJ8-B9D/3IJ8-B9D_decoys.pdbqt | data/3I/3IJ8-B9D/3IJ8-B9D_decoy_scores.csv |
3IXS-NHE | data/3I/3IXS-NHE/3IXS-NHE_ligand.pdbqt | data/3I/3IXS-NHE/3IXS-NHE_target.pdbqt | data/3I/3IXS-NHE/3IXS-NHE_decoys.pdbqt | data/3I/3IXS-NHE/3IXS-NHE_decoy_scores.csv |
3IBL-O59 | data/3I/3IBL-O59/3IBL-O59_ligand.pdbqt | data/3I/3IBL-O59/3IBL-O59_target.pdbqt | data/3I/3IBL-O59/3IBL-O59_decoys.pdbqt | data/3I/3IBL-O59/3IBL-O59_decoy_scores.csv |
3IIT-D14 | data/3I/3IIT-D14/3IIT-D14_ligand.pdbqt | data/3I/3IIT-D14/3IIT-D14_target.pdbqt | data/3I/3IIT-D14/3IIT-D14_decoys.pdbqt | data/3I/3IIT-D14/3IIT-D14_decoy_scores.csv |
3IE7-ATP | data/3I/3IE7-ATP/3IE7-ATP_ligand.pdbqt | data/3I/3IE7-ATP/3IE7-ATP_target.pdbqt | data/3I/3IE7-ATP/3IE7-ATP_decoys.pdbqt | data/3I/3IE7-ATP/3IE7-ATP_decoy_scores.csv |
3INF-X45 | data/3I/3INF-X45/3INF-X45_ligand.pdbqt | data/3I/3INF-X45/3INF-X45_target.pdbqt | data/3I/3INF-X45/3INF-X45_decoys.pdbqt | data/3I/3INF-X45/3INF-X45_decoy_scores.csv |
3ITA-AIC | data/3I/3ITA-AIC/3ITA-AIC_ligand.pdbqt | data/3I/3ITA-AIC/3ITA-AIC_target.pdbqt | data/3I/3ITA-AIC/3ITA-AIC_decoys.pdbqt | data/3I/3ITA-AIC/3ITA-AIC_decoy_scores.csv |
3ILT-TRU | data/3I/3ILT-TRU/3ILT-TRU_ligand.pdbqt | data/3I/3ILT-TRU/3ILT-TRU_target.pdbqt | data/3I/3ILT-TRU/3ILT-TRU_decoys.pdbqt | data/3I/3ILT-TRU/3ILT-TRU_decoy_scores.csv |
3I3D-IPT | data/3I/3I3D-IPT/3I3D-IPT_ligand.pdbqt | data/3I/3I3D-IPT/3I3D-IPT_target.pdbqt | data/3I/3I3D-IPT/3I3D-IPT_decoys.pdbqt | data/3I/3I3D-IPT/3I3D-IPT_decoy_scores.csv |
3I9L-N1C | data/3I/3I9L-N1C/3I9L-N1C_ligand.pdbqt | data/3I/3I9L-N1C/3I9L-N1C_target.pdbqt | data/3I/3I9L-N1C/3I9L-N1C_decoys.pdbqt | data/3I/3I9L-N1C/3I9L-N1C_decoy_scores.csv |
3IIL-ADP | data/3I/3IIL-ADP/3IIL-ADP_ligand.pdbqt | data/3I/3IIL-ADP/3IIL-ADP_target.pdbqt | null | null |
3IGZ-3PG | data/3I/3IGZ-3PG/3IGZ-3PG_ligand.pdbqt | data/3I/3IGZ-3PG/3IGZ-3PG_target.pdbqt | data/3I/3IGZ-3PG/3IGZ-3PG_decoys.pdbqt | data/3I/3IGZ-3PG/3IGZ-3PG_decoy_scores.csv |
3IUQ-ZPR | data/3I/3IUQ-ZPR/3IUQ-ZPR_ligand.pdbqt | data/3I/3IUQ-ZPR/3IUQ-ZPR_target.pdbqt | data/3I/3IUQ-ZPR/3IUQ-ZPR_decoys.pdbqt | data/3I/3IUQ-ZPR/3IUQ-ZPR_decoy_scores.csv |
3IUT-KB2 | data/3I/3IUT-KB2/3IUT-KB2_ligand.pdbqt | data/3I/3IUT-KB2/3IUT-KB2_target.pdbqt | data/3I/3IUT-KB2/3IUT-KB2_decoys.pdbqt | data/3I/3IUT-KB2/3IUT-KB2_decoy_scores.csv |
3IIS-PID | data/3I/3IIS-PID/3IIS-PID_ligand.pdbqt | data/3I/3IIS-PID/3IIS-PID_target.pdbqt | data/3I/3IIS-PID/3IIS-PID_decoys.pdbqt | data/3I/3IIS-PID/3IIS-PID_decoy_scores.csv |
3IXL-PAC | data/3I/3IXL-PAC/3IXL-PAC_ligand.pdbqt | data/3I/3IXL-PAC/3IXL-PAC_target.pdbqt | data/3I/3IXL-PAC/3IXL-PAC_decoys.pdbqt | data/3I/3IXL-PAC/3IXL-PAC_decoy_scores.csv |
3IG7-EFP | data/3I/3IG7-EFP/3IG7-EFP_ligand.pdbqt | data/3I/3IG7-EFP/3IG7-EFP_target.pdbqt | data/3I/3IG7-EFP/3IG7-EFP_decoys.pdbqt | data/3I/3IG7-EFP/3IG7-EFP_decoy_scores.csv |
3IKH-ATP | data/3I/3IKH-ATP/3IKH-ATP_ligand.pdbqt | data/3I/3IKH-ATP/3IKH-ATP_target.pdbqt | data/3I/3IKH-ATP/3IKH-ATP_decoys.pdbqt | data/3I/3IKH-ATP/3IKH-ATP_decoy_scores.csv |
3IA4-MTX | data/3I/3IA4-MTX/3IA4-MTX_ligand.pdbqt | data/3I/3IA4-MTX/3IA4-MTX_target.pdbqt | data/3I/3IA4-MTX/3IA4-MTX_decoys.pdbqt | data/3I/3IA4-MTX/3IA4-MTX_decoy_scores.csv |
3IOP-8I1 | data/3I/3IOP-8I1/3IOP-8I1_ligand.pdbqt | data/3I/3IOP-8I1/3IOP-8I1_target.pdbqt | data/3I/3IOP-8I1/3IOP-8I1_decoys.pdbqt | data/3I/3IOP-8I1/3IOP-8I1_decoy_scores.csv |
3IDZ-FLC | data/3I/3IDZ-FLC/3IDZ-FLC_ligand.pdbqt | data/3I/3IDZ-FLC/3IDZ-FLC_target.pdbqt | data/3I/3IDZ-FLC/3IDZ-FLC_decoys.pdbqt | data/3I/3IDZ-FLC/3IDZ-FLC_decoy_scores.csv |
3I9G-S1P | data/3I/3I9G-S1P/3I9G-S1P_ligand.pdbqt | data/3I/3I9G-S1P/3I9G-S1P_target.pdbqt | data/3I/3I9G-S1P/3I9G-S1P_decoys.pdbqt | data/3I/3I9G-S1P/3I9G-S1P_decoy_scores.csv |
3IB8-AMP | data/3I/3IB8-AMP/3IB8-AMP_ligand.pdbqt | data/3I/3IB8-AMP/3IB8-AMP_target.pdbqt | data/3I/3IB8-AMP/3IB8-AMP_decoys.pdbqt | data/3I/3IB8-AMP/3IB8-AMP_decoy_scores.csv |
3I6R-J5Z | data/3I/3I6R-J5Z/3I6R-J5Z_ligand.pdbqt | data/3I/3I6R-J5Z/3I6R-J5Z_target.pdbqt | data/3I/3I6R-J5Z/3I6R-J5Z_decoys.pdbqt | data/3I/3I6R-J5Z/3I6R-J5Z_decoy_scores.csv |
3IR7-AGA | data/3I/3IR7-AGA/3IR7-AGA_ligand.pdbqt | data/3I/3IR7-AGA/3IR7-AGA_target.pdbqt | null | null |
3ITA-AIX | data/3I/3ITA-AIX/3ITA-AIX_ligand.pdbqt | data/3I/3ITA-AIX/3ITA-AIX_target.pdbqt | data/3I/3ITA-AIX/3ITA-AIX_decoys.pdbqt | data/3I/3ITA-AIX/3ITA-AIX_decoy_scores.csv |
3I9J-NFD | data/3I/3I9J-NFD/3I9J-NFD_ligand.pdbqt | data/3I/3I9J-NFD/3I9J-NFD_target.pdbqt | data/3I/3I9J-NFD/3I9J-NFD_decoys.pdbqt | data/3I/3I9J-NFD/3I9J-NFD_decoy_scores.csv |
3IK6-GLU | data/3I/3IK6-GLU/3IK6-GLU_ligand.pdbqt | data/3I/3IK6-GLU/3IK6-GLU_target.pdbqt | data/3I/3IK6-GLU/3IK6-GLU_decoys.pdbqt | data/3I/3IK6-GLU/3IK6-GLU_decoy_scores.csv |
3I7C-BK2 | data/3I/3I7C-BK2/3I7C-BK2_ligand.pdbqt | data/3I/3I7C-BK2/3I7C-BK2_target.pdbqt | data/3I/3I7C-BK2/3I7C-BK2_decoys.pdbqt | data/3I/3I7C-BK2/3I7C-BK2_decoy_scores.csv |
3IA6-UNT | data/3I/3IA6-UNT/3IA6-UNT_ligand.pdbqt | data/3I/3IA6-UNT/3IA6-UNT_target.pdbqt | data/3I/3IA6-UNT/3IA6-UNT_decoys.pdbqt | data/3I/3IA6-UNT/3IA6-UNT_decoy_scores.csv |
3ISG-DRW | data/3I/3ISG-DRW/3ISG-DRW_ligand.pdbqt | data/3I/3ISG-DRW/3ISG-DRW_target.pdbqt | data/3I/3ISG-DRW/3ISG-DRW_decoys.pdbqt | data/3I/3ISG-DRW/3ISG-DRW_decoy_scores.csv |
3IME-BZ2 | data/3I/3IME-BZ2/3IME-BZ2_ligand.pdbqt | data/3I/3IME-BZ2/3IME-BZ2_target.pdbqt | data/3I/3IME-BZ2/3IME-BZ2_decoys.pdbqt | data/3I/3IME-BZ2/3IME-BZ2_decoy_scores.csv |
3I94-BL3 | data/3I/3I94-BL3/3I94-BL3_ligand.pdbqt | data/3I/3I94-BL3/3I94-BL3_target.pdbqt | data/3I/3I94-BL3/3I94-BL3_decoys.pdbqt | data/3I/3I94-BL3/3I94-BL3_decoy_scores.csv |
3IMJ-AYI | data/3I/3IMJ-AYI/3IMJ-AYI_ligand.pdbqt | data/3I/3IMJ-AYI/3IMJ-AYI_target.pdbqt | data/3I/3IMJ-AYI/3IMJ-AYI_decoys.pdbqt | data/3I/3IMJ-AYI/3IMJ-AYI_decoy_scores.csv |
3I6C-GIA | data/3I/3I6C-GIA/3I6C-GIA_ligand.pdbqt | data/3I/3I6C-GIA/3I6C-GIA_target.pdbqt | data/3I/3I6C-GIA/3I6C-GIA_decoys.pdbqt | data/3I/3I6C-GIA/3I6C-GIA_decoy_scores.csv |
3IND-593 | data/3I/3IND-593/3IND-593_ligand.pdbqt | data/3I/3IND-593/3IND-593_target.pdbqt | data/3I/3IND-593/3IND-593_decoys.pdbqt | data/3I/3IND-593/3IND-593_decoy_scores.csv |
3IUC-ADP | data/3I/3IUC-ADP/3IUC-ADP_ligand.pdbqt | data/3I/3IUC-ADP/3IUC-ADP_target.pdbqt | data/3I/3IUC-ADP/3IUC-ADP_decoys.pdbqt | data/3I/3IUC-ADP/3IUC-ADP_decoy_scores.csv |
3I06-QL2 | data/3I/3I06-QL2/3I06-QL2_ligand.pdbqt | data/3I/3I06-QL2/3I06-QL2_target.pdbqt | data/3I/3I06-QL2/3I06-QL2_decoys.pdbqt | data/3I/3I06-QL2/3I06-QL2_decoy_scores.csv |
3IE3-N11 | data/3I/3IE3-N11/3IE3-N11_ligand.pdbqt | data/3I/3IE3-N11/3IE3-N11_target.pdbqt | data/3I/3IE3-N11/3IE3-N11_decoys.pdbqt | data/3I/3IE3-N11/3IE3-N11_decoy_scores.csv |
3ICW-MHH | data/3I/3ICW-MHH/3ICW-MHH_ligand.pdbqt | data/3I/3ICW-MHH/3ICW-MHH_target.pdbqt | data/3I/3ICW-MHH/3ICW-MHH_decoys.pdbqt | data/3I/3ICW-MHH/3ICW-MHH_decoy_scores.csv |
3I2K-DBC | data/3I/3I2K-DBC/3I2K-DBC_ligand.pdbqt | data/3I/3I2K-DBC/3I2K-DBC_target.pdbqt | data/3I/3I2K-DBC/3I2K-DBC_decoys.pdbqt | data/3I/3I2K-DBC/3I2K-DBC_decoy_scores.csv |
3IK1-UMP | data/3I/3IK1-UMP/3IK1-UMP_ligand.pdbqt | data/3I/3IK1-UMP/3IK1-UMP_target.pdbqt | data/3I/3IK1-UMP/3IK1-UMP_decoys.pdbqt | data/3I/3IK1-UMP/3IK1-UMP_decoy_scores.csv |
3IWC-SMM | data/3I/3IWC-SMM/3IWC-SMM_ligand.pdbqt | data/3I/3IWC-SMM/3IWC-SMM_target.pdbqt | data/3I/3IWC-SMM/3IWC-SMM_decoys.pdbqt | data/3I/3IWC-SMM/3IWC-SMM_decoy_scores.csv |
3IMS-IW2 | data/3I/3IMS-IW2/3IMS-IW2_ligand.pdbqt | data/3I/3IMS-IW2/3IMS-IW2_target.pdbqt | data/3I/3IMS-IW2/3IMS-IW2_decoys.pdbqt | data/3I/3IMS-IW2/3IMS-IW2_decoy_scores.csv |
3IN3-472 | data/3I/3IN3-472/3IN3-472_ligand.pdbqt | data/3I/3IN3-472/3IN3-472_target.pdbqt | data/3I/3IN3-472/3IN3-472_decoys.pdbqt | data/3I/3IN3-472/3IN3-472_decoy_scores.csv |
3INV-C50 | data/3I/3INV-C50/3INV-C50_ligand.pdbqt | data/3I/3INV-C50/3INV-C50_target.pdbqt | data/3I/3INV-C50/3INV-C50_decoys.pdbqt | data/3I/3INV-C50/3INV-C50_decoy_scores.csv |
3INR-GDU | data/3I/3INR-GDU/3INR-GDU_ligand.pdbqt | data/3I/3INR-GDU/3INR-GDU_target.pdbqt | data/3I/3INR-GDU/3INR-GDU_decoys.pdbqt | data/3I/3INR-GDU/3INR-GDU_decoy_scores.csv |
3I8V-0MO | data/3I/3I8V-0MO/3I8V-0MO_ligand.pdbqt | data/3I/3I8V-0MO/3I8V-0MO_target.pdbqt | data/3I/3I8V-0MO/3I8V-0MO_decoys.pdbqt | data/3I/3I8V-0MO/3I8V-0MO_decoy_scores.csv |
3I4D-HTO | data/3I/3I4D-HTO/3I4D-HTO_ligand.pdbqt | data/3I/3I4D-HTO/3I4D-HTO_target.pdbqt | data/3I/3I4D-HTO/3I4D-HTO_decoys.pdbqt | data/3I/3I4D-HTO/3I4D-HTO_decoy_scores.csv |
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