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 ⌀ |
|---|---|---|---|---|
3PGU-OLA | data/3P/3PGU-OLA/3PGU-OLA_ligand.pdbqt | data/3P/3PGU-OLA/3PGU-OLA_target.pdbqt | data/3P/3PGU-OLA/3PGU-OLA_decoys.pdbqt | data/3P/3PGU-OLA/3PGU-OLA_decoy_scores.csv |
3PGU-C8E | data/3P/3PGU-C8E/3PGU-C8E_ligand.pdbqt | data/3P/3PGU-C8E/3PGU-C8E_target.pdbqt | data/3P/3PGU-C8E/3PGU-C8E_decoys.pdbqt | data/3P/3PGU-C8E/3PGU-C8E_decoy_scores.csv |
3PA8-621 | data/3P/3PA8-621/3PA8-621_ligand.pdbqt | data/3P/3PA8-621/3PA8-621_target.pdbqt | data/3P/3PA8-621/3PA8-621_decoys.pdbqt | data/3P/3PA8-621/3PA8-621_decoy_scores.csv |
3P61-BMP | data/3P/3P61-BMP/3P61-BMP_ligand.pdbqt | data/3P/3P61-BMP/3P61-BMP_target.pdbqt | data/3P/3P61-BMP/3P61-BMP_decoys.pdbqt | data/3P/3P61-BMP/3P61-BMP_decoy_scores.csv |
3PXV-FMN | data/3P/3PXV-FMN/3PXV-FMN_ligand.pdbqt | data/3P/3PXV-FMN/3PXV-FMN_target.pdbqt | data/3P/3PXV-FMN/3PXV-FMN_decoys.pdbqt | data/3P/3PXV-FMN/3PXV-FMN_decoy_scores.csv |
3PX2-SAH | data/3P/3PX2-SAH/3PX2-SAH_ligand.pdbqt | data/3P/3PX2-SAH/3PX2-SAH_target.pdbqt | data/3P/3PX2-SAH/3PX2-SAH_decoys.pdbqt | data/3P/3PX2-SAH/3PX2-SAH_decoy_scores.csv |
3PLI-AZA | data/3P/3PLI-AZA/3PLI-AZA_ligand.pdbqt | data/3P/3PLI-AZA/3PLI-AZA_target.pdbqt | null | null |
3PUR-2HG | data/3P/3PUR-2HG/3PUR-2HG_ligand.pdbqt | data/3P/3PUR-2HG/3PUR-2HG_target.pdbqt | data/3P/3PUR-2HG/3PUR-2HG_decoys.pdbqt | data/3P/3PUR-2HG/3PUR-2HG_decoy_scores.csv |
3PKQ-DGT | data/3P/3PKQ-DGT/3PKQ-DGT_ligand.pdbqt | data/3P/3PKQ-DGT/3PKQ-DGT_target.pdbqt | data/3P/3PKQ-DGT/3PKQ-DGT_decoys.pdbqt | data/3P/3PKQ-DGT/3PKQ-DGT_decoy_scores.csv |
3PZI-BGC | data/3P/3PZI-BGC/3PZI-BGC_ligand.pdbqt | data/3P/3PZI-BGC/3PZI-BGC_target.pdbqt | data/3P/3PZI-BGC/3PZI-BGC_decoys.pdbqt | data/3P/3PZI-BGC/3PZI-BGC_decoy_scores.csv |
3PCZ-BEN | data/3P/3PCZ-BEN/3PCZ-BEN_ligand.pdbqt | data/3P/3PCZ-BEN/3PCZ-BEN_target.pdbqt | data/3P/3PCZ-BEN/3PCZ-BEN_decoys.pdbqt | data/3P/3PCZ-BEN/3PCZ-BEN_decoy_scores.csv |
3PBO-CAZ | data/3P/3PBO-CAZ/3PBO-CAZ_ligand.pdbqt | data/3P/3PBO-CAZ/3PBO-CAZ_target.pdbqt | data/3P/3PBO-CAZ/3PBO-CAZ_decoys.pdbqt | data/3P/3PBO-CAZ/3PBO-CAZ_decoy_scores.csv |
3PH7-GRG | data/3P/3PH7-GRG/3PH7-GRG_ligand.pdbqt | data/3P/3PH7-GRG/3PH7-GRG_target.pdbqt | data/3P/3PH7-GRG/3PH7-GRG_decoys.pdbqt | data/3P/3PH7-GRG/3PH7-GRG_decoy_scores.csv |
3PCW-FBF | data/3P/3PCW-FBF/3PCW-FBF_ligand.pdbqt | data/3P/3PCW-FBF/3PCW-FBF_target.pdbqt | data/3P/3PCW-FBF/3PCW-FBF_decoys.pdbqt | data/3P/3PCW-FBF/3PCW-FBF_decoy_scores.csv |
3PLS-ANP | data/3P/3PLS-ANP/3PLS-ANP_ligand.pdbqt | data/3P/3PLS-ANP/3PLS-ANP_target.pdbqt | data/3P/3PLS-ANP/3PLS-ANP_decoys.pdbqt | data/3P/3PLS-ANP/3PLS-ANP_decoy_scores.csv |
3PCM-NNO | data/3P/3PCM-NNO/3PCM-NNO_ligand.pdbqt | data/3P/3PCM-NNO/3PCM-NNO_target.pdbqt | data/3P/3PCM-NNO/3PCM-NNO_decoys.pdbqt | data/3P/3PCM-NNO/3PCM-NNO_decoy_scores.csv |
3PR3-F6P | data/3P/3PR3-F6P/3PR3-F6P_ligand.pdbqt | data/3P/3PR3-F6P/3PR3-F6P_target.pdbqt | data/3P/3PR3-F6P/3PR3-F6P_decoys.pdbqt | data/3P/3PR3-F6P/3PR3-F6P_decoy_scores.csv |
3PFF-ADP | data/3P/3PFF-ADP/3PFF-ADP_ligand.pdbqt | data/3P/3PFF-ADP/3PFF-ADP_target.pdbqt | data/3P/3PFF-ADP/3PFF-ADP_decoys.pdbqt | data/3P/3PFF-ADP/3PFF-ADP_decoy_scores.csv |
3PD2-A3S | data/3P/3PD2-A3S/3PD2-A3S_ligand.pdbqt | data/3P/3PD2-A3S/3PD2-A3S_target.pdbqt | data/3P/3PD2-A3S/3PD2-A3S_decoys.pdbqt | data/3P/3PD2-A3S/3PD2-A3S_decoy_scores.csv |
3PJD-NAD | data/3P/3PJD-NAD/3PJD-NAD_ligand.pdbqt | data/3P/3PJD-NAD/3PJD-NAD_target.pdbqt | data/3P/3PJD-NAD/3PJD-NAD_decoys.pdbqt | data/3P/3PJD-NAD/3PJD-NAD_decoy_scores.csv |
3PXK-PXK | data/3P/3PXK-PXK/3PXK-PXK_ligand.pdbqt | data/3P/3PXK-PXK/3PXK-PXK_target.pdbqt | data/3P/3PXK-PXK/3PXK-PXK_decoys.pdbqt | data/3P/3PXK-PXK/3PXK-PXK_decoy_scores.csv |
3PX2-T3Q | data/3P/3PX2-T3Q/3PX2-T3Q_ligand.pdbqt | data/3P/3PX2-T3Q/3PX2-T3Q_target.pdbqt | data/3P/3PX2-T3Q/3PX2-T3Q_decoys.pdbqt | data/3P/3PX2-T3Q/3PX2-T3Q_decoy_scores.csv |
3PI5-3P5 | data/3P/3PI5-3P5/3PI5-3P5_ligand.pdbqt | data/3P/3PI5-3P5/3PI5-3P5_target.pdbqt | data/3P/3PI5-3P5/3PI5-3P5_decoys.pdbqt | data/3P/3PI5-3P5/3PI5-3P5_decoy_scores.csv |
3PHI-SKM | data/3P/3PHI-SKM/3PHI-SKM_ligand.pdbqt | data/3P/3PHI-SKM/3PHI-SKM_target.pdbqt | data/3P/3PHI-SKM/3PHI-SKM_decoys.pdbqt | data/3P/3PHI-SKM/3PHI-SKM_decoy_scores.csv |
3P0Z-MSR | data/3P/3P0Z-MSR/3P0Z-MSR_ligand.pdbqt | data/3P/3P0Z-MSR/3P0Z-MSR_target.pdbqt | data/3P/3P0Z-MSR/3P0Z-MSR_decoys.pdbqt | data/3P/3P0Z-MSR/3P0Z-MSR_decoy_scores.csv |
3P8X-ZYD | data/3P/3P8X-ZYD/3P8X-ZYD_ligand.pdbqt | data/3P/3P8X-ZYD/3P8X-ZYD_target.pdbqt | data/3P/3P8X-ZYD/3P8X-ZYD_decoys.pdbqt | data/3P/3P8X-ZYD/3P8X-ZYD_decoy_scores.csv |
3PEQ-3EQ | data/3P/3PEQ-3EQ/3PEQ-3EQ_ligand.pdbqt | data/3P/3PEQ-3EQ/3PEQ-3EQ_target.pdbqt | data/3P/3PEQ-3EQ/3PEQ-3EQ_decoys.pdbqt | data/3P/3PEQ-3EQ/3PEQ-3EQ_decoy_scores.csv |
3PSU-LJG | data/3P/3PSU-LJG/3PSU-LJG_ligand.pdbqt | data/3P/3PSU-LJG/3PSU-LJG_target.pdbqt | data/3P/3PSU-LJG/3PSU-LJG_decoys.pdbqt | data/3P/3PSU-LJG/3PSU-LJG_decoy_scores.csv |
3PJ2-04K | data/3P/3PJ2-04K/3PJ2-04K_ligand.pdbqt | data/3P/3PJ2-04K/3PJ2-04K_target.pdbqt | data/3P/3PJ2-04K/3PJ2-04K_decoys.pdbqt | data/3P/3PJ2-04K/3PJ2-04K_decoy_scores.csv |
3P5P-A3C | data/3P/3P5P-A3C/3P5P-A3C_ligand.pdbqt | data/3P/3P5P-A3C/3P5P-A3C_target.pdbqt | data/3P/3P5P-A3C/3P5P-A3C_decoys.pdbqt | data/3P/3P5P-A3C/3P5P-A3C_decoy_scores.csv |
3PKT-AZA | data/3P/3PKT-AZA/3PKT-AZA_ligand.pdbqt | data/3P/3PKT-AZA/3PKT-AZA_target.pdbqt | data/3P/3PKT-AZA/3PKT-AZA_decoys.pdbqt | data/3P/3PKT-AZA/3PKT-AZA_decoy_scores.csv |
3PJD-TCL | data/3P/3PJD-TCL/3PJD-TCL_ligand.pdbqt | data/3P/3PJD-TCL/3PJD-TCL_target.pdbqt | data/3P/3PJD-TCL/3PJD-TCL_decoys.pdbqt | data/3P/3PJD-TCL/3PJD-TCL_decoy_scores.csv |
3PFC-PE4 | data/3P/3PFC-PE4/3PFC-PE4_ligand.pdbqt | data/3P/3PFC-PE4/3PFC-PE4_target.pdbqt | data/3P/3PFC-PE4/3PFC-PE4_decoys.pdbqt | data/3P/3PFC-PE4/3PFC-PE4_decoy_scores.csv |
3P5Y-BMP | data/3P/3P5Y-BMP/3P5Y-BMP_ligand.pdbqt | data/3P/3P5Y-BMP/3P5Y-BMP_target.pdbqt | data/3P/3P5Y-BMP/3P5Y-BMP_decoys.pdbqt | data/3P/3P5Y-BMP/3P5Y-BMP_decoy_scores.csv |
3P8A-BTB | data/3P/3P8A-BTB/3P8A-BTB_ligand.pdbqt | data/3P/3P8A-BTB/3P8A-BTB_target.pdbqt | data/3P/3P8A-BTB/3P8A-BTB_decoys.pdbqt | data/3P/3P8A-BTB/3P8A-BTB_decoy_scores.csv |
3PCL-INO | data/3P/3PCL-INO/3PCL-INO_ligand.pdbqt | data/3P/3PCL-INO/3PCL-INO_target.pdbqt | data/3P/3PCL-INO/3PCL-INO_decoys.pdbqt | data/3P/3PCL-INO/3PCL-INO_decoy_scores.csv |
3P10-F69 | data/3P/3P10-F69/3P10-F69_ligand.pdbqt | data/3P/3P10-F69/3P10-F69_target.pdbqt | data/3P/3P10-F69/3P10-F69_decoys.pdbqt | data/3P/3P10-F69/3P10-F69_decoy_scores.csv |
3PYZ-ANP | data/3P/3PYZ-ANP/3PYZ-ANP_ligand.pdbqt | data/3P/3PYZ-ANP/3PYZ-ANP_target.pdbqt | data/3P/3PYZ-ANP/3PYZ-ANP_decoys.pdbqt | data/3P/3PYZ-ANP/3PYZ-ANP_decoy_scores.csv |
3PMZ-TUB | data/3P/3PMZ-TUB/3PMZ-TUB_ligand.pdbqt | data/3P/3PMZ-TUB/3PMZ-TUB_target.pdbqt | data/3P/3PMZ-TUB/3PMZ-TUB_decoys.pdbqt | data/3P/3PMZ-TUB/3PMZ-TUB_decoy_scores.csv |
3PD4-A3G | data/3P/3PD4-A3G/3PD4-A3G_ligand.pdbqt | data/3P/3PD4-A3G/3PD4-A3G_target.pdbqt | data/3P/3PD4-A3G/3PD4-A3G_decoys.pdbqt | data/3P/3PD4-A3G/3PD4-A3G_decoy_scores.csv |
3PLR-NAI | data/3P/3PLR-NAI/3PLR-NAI_ligand.pdbqt | data/3P/3PLR-NAI/3PLR-NAI_target.pdbqt | data/3P/3PLR-NAI/3PLR-NAI_decoys.pdbqt | data/3P/3PLR-NAI/3PLR-NAI_decoy_scores.csv |
3PQB-VGP | data/3P/3PQB-VGP/3PQB-VGP_ligand.pdbqt | data/3P/3PQB-VGP/3PQB-VGP_target.pdbqt | data/3P/3PQB-VGP/3PQB-VGP_decoys.pdbqt | data/3P/3PQB-VGP/3PQB-VGP_decoy_scores.csv |
3PAQ-MMA | data/3P/3PAQ-MMA/3PAQ-MMA_ligand.pdbqt | data/3P/3PAQ-MMA/3PAQ-MMA_target.pdbqt | data/3P/3PAQ-MMA/3PAQ-MMA_decoys.pdbqt | data/3P/3PAQ-MMA/3PAQ-MMA_decoy_scores.csv |
3PO7-ZON | data/3P/3PO7-ZON/3PO7-ZON_ligand.pdbqt | data/3P/3PO7-ZON/3PO7-ZON_target.pdbqt | data/3P/3PO7-ZON/3PO7-ZON_decoys.pdbqt | data/3P/3PO7-ZON/3PO7-ZON_decoy_scores.csv |
3PAG-4J6 | data/3P/3PAG-4J6/3PAG-4J6_ligand.pdbqt | data/3P/3PAG-4J6/3PAG-4J6_target.pdbqt | data/3P/3PAG-4J6/3PAG-4J6_decoys.pdbqt | data/3P/3PAG-4J6/3PAG-4J6_decoy_scores.csv |
3PS3-L53 | data/3P/3PS3-L53/3PS3-L53_ligand.pdbqt | data/3P/3PS3-L53/3PS3-L53_target.pdbqt | data/3P/3PS3-L53/3PS3-L53_decoys.pdbqt | data/3P/3PS3-L53/3PS3-L53_decoy_scores.csv |
3PD5-TSB | data/3P/3PD5-TSB/3PD5-TSB_ligand.pdbqt | data/3P/3PD5-TSB/3PD5-TSB_target.pdbqt | data/3P/3PD5-TSB/3PD5-TSB_decoys.pdbqt | data/3P/3PD5-TSB/3PD5-TSB_decoy_scores.csv |
3P78-P78 | data/3P/3P78-P78/3P78-P78_ligand.pdbqt | data/3P/3P78-P78/3P78-P78_target.pdbqt | data/3P/3P78-P78/3P78-P78_decoys.pdbqt | data/3P/3P78-P78/3P78-P78_decoy_scores.csv |
3P8J-FMN | data/3P/3P8J-FMN/3P8J-FMN_ligand.pdbqt | data/3P/3P8J-FMN/3P8J-FMN_target.pdbqt | data/3P/3P8J-FMN/3P8J-FMN_decoys.pdbqt | data/3P/3P8J-FMN/3P8J-FMN_decoy_scores.csv |
3PHJ-DHK | data/3P/3PHJ-DHK/3PHJ-DHK_ligand.pdbqt | data/3P/3PHJ-DHK/3PHJ-DHK_target.pdbqt | data/3P/3PHJ-DHK/3PHJ-DHK_decoys.pdbqt | data/3P/3PHJ-DHK/3PHJ-DHK_decoy_scores.csv |
3PK5-AZA | data/3P/3PK5-AZA/3PK5-AZA_ligand.pdbqt | data/3P/3PK5-AZA/3PK5-AZA_target.pdbqt | null | null |
3PGX-NAD | data/3P/3PGX-NAD/3PGX-NAD_ligand.pdbqt | data/3P/3PGX-NAD/3PGX-NAD_target.pdbqt | data/3P/3PGX-NAD/3PGX-NAD_decoys.pdbqt | data/3P/3PGX-NAD/3PGX-NAD_decoy_scores.csv |
3PCI-IHB | data/3P/3PCI-IHB/3PCI-IHB_ligand.pdbqt | data/3P/3PCI-IHB/3PCI-IHB_target.pdbqt | data/3P/3PCI-IHB/3PCI-IHB_decoys.pdbqt | data/3P/3PCI-IHB/3PCI-IHB_decoy_scores.csv |
3P6H-IBP | data/3P/3P6H-IBP/3P6H-IBP_ligand.pdbqt | data/3P/3P6H-IBP/3P6H-IBP_target.pdbqt | data/3P/3P6H-IBP/3P6H-IBP_decoys.pdbqt | data/3P/3P6H-IBP/3P6H-IBP_decoy_scores.csv |
3PN3-PN3 | data/3P/3PN3-PN3/3PN3-PN3_ligand.pdbqt | data/3P/3PN3-PN3/3PN3-PN3_target.pdbqt | data/3P/3PN3-PN3/3PN3-PN3_decoys.pdbqt | data/3P/3PN3-PN3/3PN3-PN3_decoy_scores.csv |
3P9K-SAH | data/3P/3P9K-SAH/3P9K-SAH_ligand.pdbqt | data/3P/3P9K-SAH/3P9K-SAH_target.pdbqt | data/3P/3P9K-SAH/3P9K-SAH_decoys.pdbqt | data/3P/3P9K-SAH/3P9K-SAH_decoy_scores.csv |
3PTG-932 | data/3P/3PTG-932/3PTG-932_ligand.pdbqt | data/3P/3PTG-932/3PTG-932_target.pdbqt | data/3P/3PTG-932/3PTG-932_decoys.pdbqt | data/3P/3PTG-932/3PTG-932_decoy_scores.csv |
3P0X-ICT | data/3P/3P0X-ICT/3P0X-ICT_ligand.pdbqt | data/3P/3P0X-ICT/3P0X-ICT_target.pdbqt | data/3P/3P0X-ICT/3P0X-ICT_decoys.pdbqt | data/3P/3P0X-ICT/3P0X-ICT_decoy_scores.csv |
3PMU-F7L | data/3P/3PMU-F7L/3PMU-F7L_ligand.pdbqt | data/3P/3PMU-F7L/3PMU-F7L_target.pdbqt | data/3P/3PMU-F7L/3PMU-F7L_decoys.pdbqt | data/3P/3PMU-F7L/3PMU-F7L_decoy_scores.csv |
3PKA-Y02 | data/3P/3PKA-Y02/3PKA-Y02_ligand.pdbqt | data/3P/3PKA-Y02/3PKA-Y02_target.pdbqt | data/3P/3PKA-Y02/3PKA-Y02_decoys.pdbqt | data/3P/3PKA-Y02/3PKA-Y02_decoy_scores.csv |
3PC3-P1T | data/3P/3PC3-P1T/3PC3-P1T_ligand.pdbqt | data/3P/3PC3-P1T/3PC3-P1T_target.pdbqt | data/3P/3PC3-P1T/3PC3-P1T_decoys.pdbqt | data/3P/3PC3-P1T/3PC3-P1T_decoy_scores.csv |
3PVK-BEN | data/3P/3PVK-BEN/3PVK-BEN_ligand.pdbqt | data/3P/3PVK-BEN/3PVK-BEN_target.pdbqt | data/3P/3PVK-BEN/3PVK-BEN_decoys.pdbqt | data/3P/3PVK-BEN/3PVK-BEN_decoy_scores.csv |
3PWW-ROC | data/3P/3PWW-ROC/3PWW-ROC_ligand.pdbqt | data/3P/3PWW-ROC/3PWW-ROC_target.pdbqt | data/3P/3PWW-ROC/3PWW-ROC_decoys.pdbqt | data/3P/3PWW-ROC/3PWW-ROC_decoy_scores.csv |
3P84-FMN | data/3P/3P84-FMN/3P84-FMN_ligand.pdbqt | data/3P/3P84-FMN/3P84-FMN_target.pdbqt | data/3P/3P84-FMN/3P84-FMN_decoys.pdbqt | data/3P/3P84-FMN/3P84-FMN_decoy_scores.csv |
3PJC-PJC | data/3P/3PJC-PJC/3PJC-PJC_ligand.pdbqt | data/3P/3PJC-PJC/3PJC-PJC_target.pdbqt | data/3P/3PJC-PJC/3PJC-PJC_decoys.pdbqt | data/3P/3PJC-PJC/3PJC-PJC_decoy_scores.csv |
3PK6-AZA | data/3P/3PK6-AZA/3PK6-AZA_ligand.pdbqt | data/3P/3PK6-AZA/3PK6-AZA_target.pdbqt | null | null |
3PNF-8BX | data/3P/3PNF-8BX/3PNF-8BX_ligand.pdbqt | data/3P/3PNF-8BX/3PNF-8BX_target.pdbqt | data/3P/3PNF-8BX/3PNF-8BX_decoys.pdbqt | data/3P/3PNF-8BX/3PNF-8BX_decoy_scores.csv |
3PEN-GDP | data/3P/3PEN-GDP/3PEN-GDP_ligand.pdbqt | data/3P/3PEN-GDP/3PEN-GDP_target.pdbqt | data/3P/3PEN-GDP/3PEN-GDP_decoys.pdbqt | data/3P/3PEN-GDP/3PEN-GDP_decoy_scores.csv |
3P1O-FSC | data/3P/3P1O-FSC/3P1O-FSC_ligand.pdbqt | data/3P/3P1O-FSC/3P1O-FSC_target.pdbqt | data/3P/3P1O-FSC/3P1O-FSC_decoys.pdbqt | data/3P/3P1O-FSC/3P1O-FSC_decoy_scores.csv |
3P5K-P5K | data/3P/3P5K-P5K/3P5K-P5K_ligand.pdbqt | data/3P/3P5K-P5K/3P5K-P5K_target.pdbqt | data/3P/3P5K-P5K/3P5K-P5K_decoys.pdbqt | data/3P/3P5K-P5K/3P5K-P5K_decoy_scores.csv |
3P9K-CIY | data/3P/3P9K-CIY/3P9K-CIY_ligand.pdbqt | data/3P/3P9K-CIY/3P9K-CIY_target.pdbqt | data/3P/3P9K-CIY/3P9K-CIY_decoys.pdbqt | data/3P/3P9K-CIY/3P9K-CIY_decoy_scores.csv |
3PRN-C8E | data/3P/3PRN-C8E/3PRN-C8E_ligand.pdbqt | data/3P/3PRN-C8E/3PRN-C8E_target.pdbqt | data/3P/3PRN-C8E/3PRN-C8E_decoys.pdbqt | data/3P/3PRN-C8E/3PRN-C8E_decoy_scores.csv |
3P1S-FSC | data/3P/3P1S-FSC/3P1S-FSC_ligand.pdbqt | data/3P/3P1S-FSC/3P1S-FSC_target.pdbqt | data/3P/3P1S-FSC/3P1S-FSC_decoys.pdbqt | data/3P/3P1S-FSC/3P1S-FSC_decoy_scores.csv |
3P62-FMN | data/3P/3P62-FMN/3P62-FMN_ligand.pdbqt | data/3P/3P62-FMN/3P62-FMN_target.pdbqt | data/3P/3P62-FMN/3P62-FMN_decoys.pdbqt | data/3P/3P62-FMN/3P62-FMN_decoy_scores.csv |
3PMX-GLU | data/3P/3PMX-GLU/3PMX-GLU_ligand.pdbqt | data/3P/3PMX-GLU/3PMX-GLU_target.pdbqt | data/3P/3PMX-GLU/3PMX-GLU_decoys.pdbqt | data/3P/3PMX-GLU/3PMX-GLU_decoy_scores.csv |
3P3R-3M1 | data/3P/3P3R-3M1/3P3R-3M1_ligand.pdbqt | data/3P/3P3R-3M1/3P3R-3M1_target.pdbqt | data/3P/3P3R-3M1/3P3R-3M1_decoys.pdbqt | data/3P/3P3R-3M1/3P3R-3M1_decoy_scores.csv |
3PP0-03Q | data/3P/3PP0-03Q/3PP0-03Q_ligand.pdbqt | data/3P/3PP0-03Q/3PP0-03Q_target.pdbqt | data/3P/3PP0-03Q/3PP0-03Q_decoys.pdbqt | data/3P/3PP0-03Q/3PP0-03Q_decoy_scores.csv |
3PAO-ADE | data/3P/3PAO-ADE/3PAO-ADE_ligand.pdbqt | data/3P/3PAO-ADE/3PAO-ADE_target.pdbqt | data/3P/3PAO-ADE/3PAO-ADE_decoys.pdbqt | data/3P/3PAO-ADE/3PAO-ADE_decoy_scores.csv |
3PPM-JG1 | data/3P/3PPM-JG1/3PPM-JG1_ligand.pdbqt | data/3P/3PPM-JG1/3PPM-JG1_target.pdbqt | data/3P/3PPM-JG1/3PPM-JG1_decoys.pdbqt | data/3P/3PPM-JG1/3PPM-JG1_decoy_scores.csv |
3P0N-BPU | data/3P/3P0N-BPU/3P0N-BPU_ligand.pdbqt | data/3P/3P0N-BPU/3P0N-BPU_target.pdbqt | data/3P/3P0N-BPU/3P0N-BPU_decoys.pdbqt | data/3P/3P0N-BPU/3P0N-BPU_decoy_scores.csv |
3PLM-AZA | data/3P/3PLM-AZA/3PLM-AZA_ligand.pdbqt | data/3P/3PLM-AZA/3PLM-AZA_target.pdbqt | null | null |
3PE6-ZYH | data/3P/3PE6-ZYH/3PE6-ZYH_ligand.pdbqt | data/3P/3PE6-ZYH/3PE6-ZYH_target.pdbqt | data/3P/3PE6-ZYH/3PE6-ZYH_decoys.pdbqt | data/3P/3PE6-ZYH/3PE6-ZYH_decoy_scores.csv |
3PL5-PLM | data/3P/3PL5-PLM/3PL5-PLM_ligand.pdbqt | data/3P/3PL5-PLM/3PL5-PLM_target.pdbqt | data/3P/3PL5-PLM/3PL5-PLM_decoys.pdbqt | data/3P/3PL5-PLM/3PL5-PLM_decoy_scores.csv |
3P53-12P | data/3P/3P53-12P/3P53-12P_ligand.pdbqt | data/3P/3P53-12P/3P53-12P_target.pdbqt | data/3P/3P53-12P/3P53-12P_decoys.pdbqt | data/3P/3P53-12P/3P53-12P_decoy_scores.csv |
3PA4-C72 | data/3P/3PA4-C72/3PA4-C72_ligand.pdbqt | data/3P/3PA4-C72/3PA4-C72_target.pdbqt | data/3P/3PA4-C72/3PA4-C72_decoys.pdbqt | data/3P/3PA4-C72/3PA4-C72_decoy_scores.csv |
3PQC-GDP | data/3P/3PQC-GDP/3PQC-GDP_ligand.pdbqt | data/3P/3PQC-GDP/3PQC-GDP_target.pdbqt | data/3P/3PQC-GDP/3PQC-GDP_decoys.pdbqt | data/3P/3PQC-GDP/3PQC-GDP_decoy_scores.csv |
3POO-S69 | data/3P/3POO-S69/3POO-S69_ligand.pdbqt | data/3P/3POO-S69/3POO-S69_target.pdbqt | data/3P/3POO-S69/3POO-S69_decoys.pdbqt | data/3P/3POO-S69/3POO-S69_decoy_scores.csv |
3PYG-ADP | data/3P/3PYG-ADP/3PYG-ADP_ligand.pdbqt | data/3P/3PYG-ADP/3PYG-ADP_target.pdbqt | data/3P/3PYG-ADP/3PYG-ADP_decoys.pdbqt | data/3P/3PYG-ADP/3PYG-ADP_decoy_scores.csv |
3PAE-4J6 | data/3P/3PAE-4J6/3PAE-4J6_ligand.pdbqt | data/3P/3PAE-4J6/3PAE-4J6_target.pdbqt | data/3P/3PAE-4J6/3PAE-4J6_decoys.pdbqt | data/3P/3PAE-4J6/3PAE-4J6_decoy_scores.csv |
3PK8-AZA | data/3P/3PK8-AZA/3PK8-AZA_ligand.pdbqt | data/3P/3PK8-AZA/3PK8-AZA_target.pdbqt | data/3P/3PK8-AZA/3PK8-AZA_decoys.pdbqt | data/3P/3PK8-AZA/3PK8-AZA_decoy_scores.csv |
3PO6-DT9 | data/3P/3PO6-DT9/3PO6-DT9_ligand.pdbqt | data/3P/3PO6-DT9/3PO6-DT9_target.pdbqt | data/3P/3PO6-DT9/3PO6-DT9_decoys.pdbqt | data/3P/3PO6-DT9/3PO6-DT9_decoy_scores.csv |
3PE4-UDP | data/3P/3PE4-UDP/3PE4-UDP_ligand.pdbqt | data/3P/3PE4-UDP/3PE4-UDP_target.pdbqt | data/3P/3PE4-UDP/3PE4-UDP_decoys.pdbqt | data/3P/3PE4-UDP/3PE4-UDP_decoy_scores.csv |
3PCR-GTP | data/3P/3PCR-GTP/3PCR-GTP_ligand.pdbqt | data/3P/3PCR-GTP/3PCR-GTP_target.pdbqt | data/3P/3PCR-GTP/3PCR-GTP_decoys.pdbqt | data/3P/3PCR-GTP/3PCR-GTP_decoy_scores.csv |
3PMF-THP | data/3P/3PMF-THP/3PMF-THP_ligand.pdbqt | data/3P/3PMF-THP/3PMF-THP_target.pdbqt | data/3P/3PMF-THP/3PMF-THP_decoys.pdbqt | data/3P/3PMF-THP/3PMF-THP_decoy_scores.csv |
3P79-P79 | data/3P/3P79-P79/3P79-P79_ligand.pdbqt | data/3P/3P79-P79/3P79-P79_target.pdbqt | data/3P/3P79-P79/3P79-P79_decoys.pdbqt | data/3P/3P79-P79/3P79-P79_decoy_scores.csv |
3PDT-ADP | data/3P/3PDT-ADP/3PDT-ADP_ligand.pdbqt | data/3P/3PDT-ADP/3PDT-ADP_target.pdbqt | data/3P/3PDT-ADP/3PDT-ADP_decoys.pdbqt | data/3P/3PDT-ADP/3PDT-ADP_decoy_scores.csv |
3POR-C8E | data/3P/3POR-C8E/3POR-C8E_ligand.pdbqt | data/3P/3POR-C8E/3POR-C8E_target.pdbqt | data/3P/3POR-C8E/3POR-C8E_decoys.pdbqt | data/3P/3POR-C8E/3POR-C8E_decoy_scores.csv |
3PXT-PG6 | data/3P/3PXT-PG6/3PXT-PG6_ligand.pdbqt | data/3P/3PXT-PG6/3PXT-PG6_target.pdbqt | data/3P/3PXT-PG6/3PXT-PG6_decoys.pdbqt | data/3P/3PXT-PG6/3PXT-PG6_decoy_scores.csv |
3PJF-NAD | data/3P/3PJF-NAD/3PJF-NAD_ligand.pdbqt | data/3P/3PJF-NAD/3PJF-NAD_target.pdbqt | data/3P/3PJF-NAD/3PJF-NAD_decoys.pdbqt | data/3P/3PJF-NAD/3PJF-NAD_decoy_scores.csv |
3PBU-UP6 | data/3P/3PBU-UP6/3PBU-UP6_ligand.pdbqt | data/3P/3PBU-UP6/3PBU-UP6_target.pdbqt | data/3P/3PBU-UP6/3PBU-UP6_decoys.pdbqt | data/3P/3PBU-UP6/3PBU-UP6_decoy_scores.csv |
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