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 ⌀ |
|---|---|---|---|---|
1F76-FMN | data/1F/1F76-FMN/1F76-FMN_ligand.pdbqt | data/1F/1F76-FMN/1F76-FMN_target.pdbqt | data/1F/1F76-FMN/1F76-FMN_decoys.pdbqt | data/1F/1F76-FMN/1F76-FMN_decoy_scores.csv |
1FTX-EPC | data/1F/1FTX-EPC/1FTX-EPC_ligand.pdbqt | data/1F/1FTX-EPC/1FTX-EPC_target.pdbqt | data/1F/1FTX-EPC/1FTX-EPC_decoys.pdbqt | data/1F/1FTX-EPC/1FTX-EPC_decoy_scores.csv |
1FJT-LYS | data/1F/1FJT-LYS/1FJT-LYS_ligand.pdbqt | data/1F/1FJT-LYS/1FJT-LYS_target.pdbqt | data/1F/1FJT-LYS/1FJT-LYS_decoys.pdbqt | data/1F/1FJT-LYS/1FJT-LYS_decoy_scores.csv |
1F06-2NP | data/1F/1F06-2NP/1F06-2NP_ligand.pdbqt | data/1F/1F06-2NP/1F06-2NP_target.pdbqt | data/1F/1F06-2NP/1F06-2NP_decoys.pdbqt | data/1F/1F06-2NP/1F06-2NP_decoy_scores.csv |
1FIH-NGA | data/1F/1FIH-NGA/1FIH-NGA_ligand.pdbqt | data/1F/1FIH-NGA/1FIH-NGA_target.pdbqt | data/1F/1FIH-NGA/1FIH-NGA_decoys.pdbqt | data/1F/1FIH-NGA/1FIH-NGA_decoy_scores.csv |
1F9A-ATP | data/1F/1F9A-ATP/1F9A-ATP_ligand.pdbqt | data/1F/1F9A-ATP/1F9A-ATP_target.pdbqt | data/1F/1F9A-ATP/1F9A-ATP_decoys.pdbqt | data/1F/1F9A-ATP/1F9A-ATP_decoy_scores.csv |
1FA9-GLC | data/1F/1FA9-GLC/1FA9-GLC_ligand.pdbqt | data/1F/1FA9-GLC/1FA9-GLC_target.pdbqt | data/1F/1FA9-GLC/1FA9-GLC_decoys.pdbqt | data/1F/1FA9-GLC/1FA9-GLC_decoy_scores.csv |
1FH7-XYP | data/1F/1FH7-XYP/1FH7-XYP_ligand.pdbqt | data/1F/1FH7-XYP/1FH7-XYP_target.pdbqt | data/1F/1FH7-XYP/1FH7-XYP_decoys.pdbqt | data/1F/1FH7-XYP/1FH7-XYP_decoy_scores.csv |
1FMC-CHO | data/1F/1FMC-CHO/1FMC-CHO_ligand.pdbqt | data/1F/1FMC-CHO/1FMC-CHO_target.pdbqt | data/1F/1FMC-CHO/1FMC-CHO_decoys.pdbqt | data/1F/1FMC-CHO/1FMC-CHO_decoy_scores.csv |
1F0U-RPR | data/1F/1F0U-RPR/1F0U-RPR_ligand.pdbqt | data/1F/1F0U-RPR/1F0U-RPR_target.pdbqt | data/1F/1F0U-RPR/1F0U-RPR_decoys.pdbqt | data/1F/1F0U-RPR/1F0U-RPR_decoy_scores.csv |
1FZQ-GDP | data/1F/1FZQ-GDP/1FZQ-GDP_ligand.pdbqt | data/1F/1FZQ-GDP/1FZQ-GDP_target.pdbqt | data/1F/1FZQ-GDP/1FZQ-GDP_decoys.pdbqt | data/1F/1FZQ-GDP/1FZQ-GDP_decoy_scores.csv |
1FTQ-IMP | data/1F/1FTQ-IMP/1FTQ-IMP_ligand.pdbqt | data/1F/1FTQ-IMP/1FTQ-IMP_target.pdbqt | data/1F/1FTQ-IMP/1FTQ-IMP_decoys.pdbqt | data/1F/1FTQ-IMP/1FTQ-IMP_decoy_scores.csv |
1F5V-FMN | data/1F/1F5V-FMN/1F5V-FMN_ligand.pdbqt | data/1F/1F5V-FMN/1F5V-FMN_target.pdbqt | data/1F/1F5V-FMN/1F5V-FMN_decoys.pdbqt | data/1F/1F5V-FMN/1F5V-FMN_decoy_scores.csv |
1FHX-4IP | data/1F/1FHX-4IP/1FHX-4IP_ligand.pdbqt | data/1F/1FHX-4IP/1FHX-4IP_target.pdbqt | data/1F/1FHX-4IP/1FHX-4IP_decoys.pdbqt | data/1F/1FHX-4IP/1FHX-4IP_decoy_scores.csv |
1FRW-GTP | data/1F/1FRW-GTP/1FRW-GTP_ligand.pdbqt | data/1F/1FRW-GTP/1FRW-GTP_target.pdbqt | data/1F/1FRW-GTP/1FRW-GTP_decoys.pdbqt | data/1F/1FRW-GTP/1FRW-GTP_decoy_scores.csv |
1FTY-GL7 | data/1F/1FTY-GL7/1FTY-GL7_ligand.pdbqt | data/1F/1FTY-GL7/1FTY-GL7_target.pdbqt | data/1F/1FTY-GL7/1FTY-GL7_decoys.pdbqt | data/1F/1FTY-GL7/1FTY-GL7_decoy_scores.csv |
1FQJ-GDP | data/1F/1FQJ-GDP/1FQJ-GDP_ligand.pdbqt | data/1F/1FQJ-GDP/1FQJ-GDP_target.pdbqt | null | null |
1FRP-FDP | data/1F/1FRP-FDP/1FRP-FDP_ligand.pdbqt | data/1F/1FRP-FDP/1FRP-FDP_target.pdbqt | data/1F/1FRP-FDP/1FRP-FDP_decoys.pdbqt | data/1F/1FRP-FDP/1FRP-FDP_decoy_scores.csv |
1FC0-NBG | data/1F/1FC0-NBG/1FC0-NBG_ligand.pdbqt | data/1F/1FC0-NBG/1FC0-NBG_target.pdbqt | data/1F/1FC0-NBG/1FC0-NBG_decoys.pdbqt | data/1F/1FC0-NBG/1FC0-NBG_decoy_scores.csv |
1FS5-16G | data/1F/1FS5-16G/1FS5-16G_ligand.pdbqt | data/1F/1FS5-16G/1FS5-16G_target.pdbqt | data/1F/1FS5-16G/1FS5-16G_decoys.pdbqt | data/1F/1FS5-16G/1FS5-16G_decoy_scores.csv |
1FGX-U5P | data/1F/1FGX-U5P/1FGX-U5P_ligand.pdbqt | data/1F/1FGX-U5P/1FGX-U5P_target.pdbqt | data/1F/1FGX-U5P/1FGX-U5P_decoys.pdbqt | data/1F/1FGX-U5P/1FGX-U5P_decoy_scores.csv |
1FCO-MOX | data/1F/1FCO-MOX/1FCO-MOX_ligand.pdbqt | data/1F/1FCO-MOX/1FCO-MOX_target.pdbqt | data/1F/1FCO-MOX/1FCO-MOX_decoys.pdbqt | data/1F/1FCO-MOX/1FCO-MOX_decoy_scores.csv |
1FGH-ATH | data/1F/1FGH-ATH/1FGH-ATH_ligand.pdbqt | data/1F/1FGH-ATH/1FGH-ATH_target.pdbqt | data/1F/1FGH-ATH/1FGH-ATH_decoys.pdbqt | data/1F/1FGH-ATH/1FGH-ATH_decoy_scores.csv |
1F28-F89 | data/1F/1F28-F89/1F28-F89_ligand.pdbqt | data/1F/1F28-F89/1F28-F89_target.pdbqt | data/1F/1F28-F89/1F28-F89_decoys.pdbqt | data/1F/1F28-F89/1F28-F89_decoy_scores.csv |
1FMJ-A3P | data/1F/1FMJ-A3P/1FMJ-A3P_ligand.pdbqt | data/1F/1FMJ-A3P/1FMJ-A3P_target.pdbqt | data/1F/1FMJ-A3P/1FMJ-A3P_decoys.pdbqt | data/1F/1FMJ-A3P/1FMJ-A3P_decoy_scores.csv |
1FH8-XYP | data/1F/1FH8-XYP/1FH8-XYP_ligand.pdbqt | data/1F/1FH8-XYP/1FH8-XYP_target.pdbqt | data/1F/1FH8-XYP/1FH8-XYP_decoys.pdbqt | data/1F/1FH8-XYP/1FH8-XYP_decoy_scores.csv |
1FUY-FIP | data/1F/1FUY-FIP/1FUY-FIP_ligand.pdbqt | data/1F/1FUY-FIP/1FUY-FIP_target.pdbqt | data/1F/1FUY-FIP/1FUY-FIP_decoys.pdbqt | data/1F/1FUY-FIP/1FUY-FIP_decoy_scores.csv |
1F8Y-5MD | data/1F/1F8Y-5MD/1F8Y-5MD_ligand.pdbqt | data/1F/1F8Y-5MD/1F8Y-5MD_target.pdbqt | data/1F/1F8Y-5MD/1F8Y-5MD_decoys.pdbqt | data/1F/1F8Y-5MD/1F8Y-5MD_decoy_scores.csv |
1FXF-MJI | data/1F/1FXF-MJI/1FXF-MJI_ligand.pdbqt | data/1F/1FXF-MJI/1FXF-MJI_target.pdbqt | data/1F/1FXF-MJI/1FXF-MJI_decoys.pdbqt | data/1F/1FXF-MJI/1FXF-MJI_decoy_scores.csv |
1FOJ-7I2 | data/1F/1FOJ-7I2/1FOJ-7I2_ligand.pdbqt | data/1F/1FOJ-7I2/1FOJ-7I2_target.pdbqt | data/1F/1FOJ-7I2/1FOJ-7I2_decoys.pdbqt | data/1F/1FOJ-7I2/1FOJ-7I2_decoy_scores.csv |
1FWN-PEP | data/1F/1FWN-PEP/1FWN-PEP_ligand.pdbqt | data/1F/1FWN-PEP/1FWN-PEP_target.pdbqt | data/1F/1FWN-PEP/1FWN-PEP_decoys.pdbqt | data/1F/1FWN-PEP/1FWN-PEP_decoy_scores.csv |
1F4T-PIM | data/1F/1F4T-PIM/1F4T-PIM_ligand.pdbqt | data/1F/1F4T-PIM/1F4T-PIM_target.pdbqt | data/1F/1F4T-PIM/1F4T-PIM_decoys.pdbqt | data/1F/1F4T-PIM/1F4T-PIM_decoy_scores.csv |
1FP2-SAH | data/1F/1FP2-SAH/1FP2-SAH_ligand.pdbqt | data/1F/1FP2-SAH/1FP2-SAH_target.pdbqt | data/1F/1FP2-SAH/1FP2-SAH_decoys.pdbqt | data/1F/1FP2-SAH/1FP2-SAH_decoy_scores.csv |
1F4D-TP2 | data/1F/1F4D-TP2/1F4D-TP2_ligand.pdbqt | data/1F/1F4D-TP2/1F4D-TP2_target.pdbqt | data/1F/1F4D-TP2/1F4D-TP2_decoys.pdbqt | data/1F/1F4D-TP2/1F4D-TP2_decoy_scores.csv |
1FM4-DXC | data/1F/1FM4-DXC/1FM4-DXC_ligand.pdbqt | data/1F/1FM4-DXC/1FM4-DXC_target.pdbqt | data/1F/1FM4-DXC/1FM4-DXC_decoys.pdbqt | data/1F/1FM4-DXC/1FM4-DXC_decoy_scores.csv |
1F7K-UMP | data/1F/1F7K-UMP/1F7K-UMP_ligand.pdbqt | data/1F/1F7K-UMP/1F7K-UMP_target.pdbqt | data/1F/1F7K-UMP/1F7K-UMP_decoys.pdbqt | data/1F/1F7K-UMP/1F7K-UMP_decoy_scores.csv |
1FX9-MJI | data/1F/1FX9-MJI/1FX9-MJI_ligand.pdbqt | data/1F/1FX9-MJI/1FX9-MJI_target.pdbqt | data/1F/1FX9-MJI/1FX9-MJI_decoys.pdbqt | data/1F/1FX9-MJI/1FX9-MJI_decoy_scores.csv |
1F2U-ATP | data/1F/1F2U-ATP/1F2U-ATP_ligand.pdbqt | data/1F/1F2U-ATP/1F2U-ATP_target.pdbqt | data/1F/1F2U-ATP/1F2U-ATP_decoys.pdbqt | data/1F/1F2U-ATP/1F2U-ATP_decoy_scores.csv |
1FBP-F6P | data/1F/1FBP-F6P/1FBP-F6P_ligand.pdbqt | data/1F/1FBP-F6P/1FBP-F6P_target.pdbqt | data/1F/1FBP-F6P/1FBP-F6P_decoys.pdbqt | data/1F/1FBP-F6P/1FBP-F6P_decoy_scores.csv |
1FK7-RCL | data/1F/1FK7-RCL/1FK7-RCL_ligand.pdbqt | data/1F/1FK7-RCL/1FK7-RCL_target.pdbqt | data/1F/1FK7-RCL/1FK7-RCL_decoys.pdbqt | data/1F/1FK7-RCL/1FK7-RCL_decoy_scores.csv |
1FLA-FMN | data/1F/1FLA-FMN/1FLA-FMN_ligand.pdbqt | data/1F/1FLA-FMN/1FLA-FMN_target.pdbqt | data/1F/1FLA-FMN/1FLA-FMN_decoys.pdbqt | data/1F/1FLA-FMN/1FLA-FMN_decoy_scores.csv |
1FOJ-7NI | data/1F/1FOJ-7NI/1FOJ-7NI_ligand.pdbqt | data/1F/1FOJ-7NI/1FOJ-7NI_target.pdbqt | data/1F/1FOJ-7NI/1FOJ-7NI_decoys.pdbqt | data/1F/1FOJ-7NI/1FOJ-7NI_decoy_scores.csv |
1FX1-FMN | data/1F/1FX1-FMN/1FX1-FMN_ligand.pdbqt | data/1F/1FX1-FMN/1FX1-FMN_target.pdbqt | data/1F/1FX1-FMN/1FX1-FMN_decoys.pdbqt | data/1F/1FX1-FMN/1FX1-FMN_decoy_scores.csv |
1FXH-PAC | data/1F/1FXH-PAC/1FXH-PAC_ligand.pdbqt | data/1F/1FXH-PAC/1FXH-PAC_target.pdbqt | data/1F/1FXH-PAC/1FXH-PAC_decoys.pdbqt | data/1F/1FXH-PAC/1FXH-PAC_decoy_scores.csv |
1FCB-FMN | data/1F/1FCB-FMN/1FCB-FMN_ligand.pdbqt | data/1F/1FCB-FMN/1FCB-FMN_target.pdbqt | data/1F/1FCB-FMN/1FCB-FMN_decoys.pdbqt | data/1F/1FCB-FMN/1FCB-FMN_decoy_scores.csv |
1F2C-VS4 | data/1F/1F2C-VS4/1F2C-VS4_ligand.pdbqt | data/1F/1F2C-VS4/1F2C-VS4_target.pdbqt | data/1F/1F2C-VS4/1F2C-VS4_decoys.pdbqt | data/1F/1F2C-VS4/1F2C-VS4_decoy_scores.csv |
1F3P-NAD | data/1F/1F3P-NAD/1F3P-NAD_ligand.pdbqt | data/1F/1F3P-NAD/1F3P-NAD_target.pdbqt | data/1F/1F3P-NAD/1F3P-NAD_decoys.pdbqt | data/1F/1F3P-NAD/1F3P-NAD_decoy_scores.csv |
1FCZ-LMU | data/1F/1FCZ-LMU/1FCZ-LMU_ligand.pdbqt | data/1F/1FCZ-LMU/1FCZ-LMU_target.pdbqt | data/1F/1FCZ-LMU/1FCZ-LMU_decoys.pdbqt | data/1F/1FCZ-LMU/1FCZ-LMU_decoy_scores.csv |
1FQO-F6R | data/1F/1FQO-F6R/1FQO-F6R_ligand.pdbqt | data/1F/1FQO-F6R/1FQO-F6R_target.pdbqt | data/1F/1FQO-F6R/1FQO-F6R_decoys.pdbqt | data/1F/1FQO-F6R/1FQO-F6R_decoy_scores.csv |
1FP1-HCC | data/1F/1FP1-HCC/1FP1-HCC_ligand.pdbqt | data/1F/1FP1-HCC/1FP1-HCC_target.pdbqt | data/1F/1FP1-HCC/1FP1-HCC_decoys.pdbqt | data/1F/1FP1-HCC/1FP1-HCC_decoy_scores.csv |
1FK9-EFZ | data/1F/1FK9-EFZ/1FK9-EFZ_ligand.pdbqt | data/1F/1FK9-EFZ/1FK9-EFZ_target.pdbqt | data/1F/1FK9-EFZ/1FK9-EFZ_decoys.pdbqt | data/1F/1FK9-EFZ/1FK9-EFZ_decoy_scores.csv |
1F3D-TPM | data/1F/1F3D-TPM/1F3D-TPM_ligand.pdbqt | data/1F/1F3D-TPM/1F3D-TPM_target.pdbqt | data/1F/1F3D-TPM/1F3D-TPM_decoys.pdbqt | data/1F/1F3D-TPM/1F3D-TPM_decoy_scores.csv |
1FGY-4IP | data/1F/1FGY-4IP/1FGY-4IP_ligand.pdbqt | data/1F/1FGY-4IP/1FGY-4IP_target.pdbqt | data/1F/1FGY-4IP/1FGY-4IP_decoys.pdbqt | data/1F/1FGY-4IP/1FGY-4IP_decoy_scores.csv |
1FM6-BRL | data/1F/1FM6-BRL/1FM6-BRL_ligand.pdbqt | data/1F/1FM6-BRL/1FM6-BRL_target.pdbqt | data/1F/1FM6-BRL/1FM6-BRL_decoys.pdbqt | data/1F/1FM6-BRL/1FM6-BRL_decoy_scores.csv |
1F7Q-DUT | data/1F/1F7Q-DUT/1F7Q-DUT_ligand.pdbqt | data/1F/1F7Q-DUT/1F7Q-DUT_target.pdbqt | data/1F/1F7Q-DUT/1F7Q-DUT_decoys.pdbqt | data/1F/1F7Q-DUT/1F7Q-DUT_decoy_scores.csv |
1FDQ-HXA | data/1F/1FDQ-HXA/1FDQ-HXA_ligand.pdbqt | data/1F/1FDQ-HXA/1FDQ-HXA_target.pdbqt | data/1F/1FDQ-HXA/1FDQ-HXA_decoys.pdbqt | data/1F/1FDQ-HXA/1FDQ-HXA_decoy_scores.csv |
1FPL-AHG | data/1F/1FPL-AHG/1FPL-AHG_ligand.pdbqt | data/1F/1FPL-AHG/1FPL-AHG_target.pdbqt | null | null |
1F98-HC4 | data/1F/1F98-HC4/1F98-HC4_ligand.pdbqt | data/1F/1F98-HC4/1F98-HC4_target.pdbqt | data/1F/1F98-HC4/1F98-HC4_decoys.pdbqt | data/1F/1F98-HC4/1F98-HC4_decoy_scores.csv |
1FOL-ARG | data/1F/1FOL-ARG/1FOL-ARG_ligand.pdbqt | data/1F/1FOL-ARG/1FOL-ARG_target.pdbqt | data/1F/1FOL-ARG/1FOL-ARG_decoys.pdbqt | data/1F/1FOL-ARG/1FOL-ARG_decoy_scores.csv |
1FLV-FMN | data/1F/1FLV-FMN/1FLV-FMN_ligand.pdbqt | data/1F/1FLV-FMN/1FLV-FMN_target.pdbqt | data/1F/1FLV-FMN/1FLV-FMN_decoys.pdbqt | data/1F/1FLV-FMN/1FLV-FMN_decoy_scores.csv |
1F48-ADP | data/1F/1F48-ADP/1F48-ADP_ligand.pdbqt | data/1F/1F48-ADP/1F48-ADP_target.pdbqt | null | null |
1FWY-UD1 | data/1F/1FWY-UD1/1FWY-UD1_ligand.pdbqt | data/1F/1FWY-UD1/1FWY-UD1_target.pdbqt | data/1F/1FWY-UD1/1FWY-UD1_decoys.pdbqt | data/1F/1FWY-UD1/1FWY-UD1_decoy_scores.csv |
1FSG-PRP | data/1F/1FSG-PRP/1FSG-PRP_ligand.pdbqt | data/1F/1FSG-PRP/1FSG-PRP_target.pdbqt | data/1F/1FSG-PRP/1FSG-PRP_decoys.pdbqt | data/1F/1FSG-PRP/1FSG-PRP_decoy_scores.csv |
1FRZ-16G | data/1F/1FRZ-16G/1FRZ-16G_ligand.pdbqt | data/1F/1FRZ-16G/1FRZ-16G_target.pdbqt | data/1F/1FRZ-16G/1FRZ-16G_decoys.pdbqt | data/1F/1FRZ-16G/1FRZ-16G_decoy_scores.csv |
1FTL-DNQ | data/1F/1FTL-DNQ/1FTL-DNQ_ligand.pdbqt | data/1F/1FTL-DNQ/1FTL-DNQ_target.pdbqt | data/1F/1FTL-DNQ/1FTL-DNQ_decoys.pdbqt | data/1F/1FTL-DNQ/1FTL-DNQ_decoy_scores.csv |
1FMB-HYB | data/1F/1FMB-HYB/1FMB-HYB_ligand.pdbqt | data/1F/1FMB-HYB/1FMB-HYB_target.pdbqt | data/1F/1FMB-HYB/1FMB-HYB_decoys.pdbqt | data/1F/1FMB-HYB/1FMB-HYB_decoy_scores.csv |
1FJ6-F6P | data/1F/1FJ6-F6P/1FJ6-F6P_ligand.pdbqt | data/1F/1FJ6-F6P/1FJ6-F6P_target.pdbqt | data/1F/1FJ6-F6P/1FJ6-F6P_decoys.pdbqt | data/1F/1FJ6-F6P/1FJ6-F6P_decoy_scores.csv |
1F6B-GDP | data/1F/1F6B-GDP/1F6B-GDP_ligand.pdbqt | data/1F/1F6B-GDP/1F6B-GDP_target.pdbqt | data/1F/1F6B-GDP/1F6B-GDP_decoys.pdbqt | data/1F/1F6B-GDP/1F6B-GDP_decoy_scores.csv |
1FWW-PEP | data/1F/1FWW-PEP/1FWW-PEP_ligand.pdbqt | data/1F/1FWW-PEP/1FWW-PEP_target.pdbqt | data/1F/1FWW-PEP/1FWW-PEP_decoys.pdbqt | data/1F/1FWW-PEP/1FWW-PEP_decoy_scores.csv |
1FR6-AZR | data/1F/1FR6-AZR/1FR6-AZR_ligand.pdbqt | data/1F/1FR6-AZR/1FR6-AZR_target.pdbqt | data/1F/1FR6-AZR/1FR6-AZR_decoys.pdbqt | data/1F/1FR6-AZR/1FR6-AZR_decoy_scores.csv |
1FGI-SU1 | data/1F/1FGI-SU1/1FGI-SU1_ligand.pdbqt | data/1F/1FGI-SU1/1FGI-SU1_target.pdbqt | data/1F/1FGI-SU1/1FGI-SU1_decoys.pdbqt | data/1F/1FGI-SU1/1FGI-SU1_decoy_scores.csv |
1F99-BLA | data/1F/1F99-BLA/1F99-BLA_ligand.pdbqt | data/1F/1F99-BLA/1F99-BLA_target.pdbqt | data/1F/1F99-BLA/1F99-BLA_decoys.pdbqt | data/1F/1F99-BLA/1F99-BLA_decoy_scores.csv |
1FOO-ARG | data/1F/1FOO-ARG/1FOO-ARG_ligand.pdbqt | data/1F/1FOO-ARG/1FOO-ARG_target.pdbqt | data/1F/1FOO-ARG/1FOO-ARG_decoys.pdbqt | data/1F/1FOO-ARG/1FOO-ARG_decoy_scores.csv |
1F50-LI1 | data/1F/1F50-LI1/1F50-LI1_ligand.pdbqt | data/1F/1F50-LI1/1F50-LI1_target.pdbqt | data/1F/1F50-LI1/1F50-LI1_decoys.pdbqt | data/1F/1F50-LI1/1F50-LI1_decoy_scores.csv |
1F07-MPO | data/1F/1F07-MPO/1F07-MPO_ligand.pdbqt | data/1F/1F07-MPO/1F07-MPO_target.pdbqt | data/1F/1F07-MPO/1F07-MPO_decoys.pdbqt | data/1F/1F07-MPO/1F07-MPO_decoy_scores.csv |
1FQK-GDP | data/1F/1FQK-GDP/1FQK-GDP_ligand.pdbqt | data/1F/1FQK-GDP/1FQK-GDP_target.pdbqt | null | null |
1FTA-AMP | data/1F/1FTA-AMP/1FTA-AMP_ligand.pdbqt | data/1F/1FTA-AMP/1FTA-AMP_target.pdbqt | data/1F/1FTA-AMP/1FTA-AMP_decoys.pdbqt | data/1F/1FTA-AMP/1FTA-AMP_decoy_scores.csv |
1F9I-HC4 | data/1F/1F9I-HC4/1F9I-HC4_ligand.pdbqt | data/1F/1F9I-HC4/1F9I-HC4_target.pdbqt | data/1F/1F9I-HC4/1F9I-HC4_decoys.pdbqt | data/1F/1F9I-HC4/1F9I-HC4_decoy_scores.csv |
1FU7-CR1 | data/1F/1FU7-CR1/1FU7-CR1_ligand.pdbqt | data/1F/1FU7-CR1/1FU7-CR1_target.pdbqt | data/1F/1FU7-CR1/1FU7-CR1_decoys.pdbqt | data/1F/1FU7-CR1/1FU7-CR1_decoy_scores.csv |
1FP1-SAH | data/1F/1FP1-SAH/1FP1-SAH_ligand.pdbqt | data/1F/1FP1-SAH/1FP1-SAH_target.pdbqt | data/1F/1FP1-SAH/1FP1-SAH_decoys.pdbqt | data/1F/1FP1-SAH/1FP1-SAH_decoy_scores.csv |
1FBZ-CC1 | data/1F/1FBZ-CC1/1FBZ-CC1_ligand.pdbqt | data/1F/1FBZ-CC1/1FBZ-CC1_target.pdbqt | data/1F/1FBZ-CC1/1FBZ-CC1_decoys.pdbqt | data/1F/1FBZ-CC1/1FBZ-CC1_decoy_scores.csv |
1F3B-GBX | data/1F/1F3B-GBX/1F3B-GBX_ligand.pdbqt | data/1F/1F3B-GBX/1F3B-GBX_target.pdbqt | data/1F/1F3B-GBX/1F3B-GBX_decoys.pdbqt | data/1F/1F3B-GBX/1F3B-GBX_decoy_scores.csv |
1FBP-AMP | data/1F/1FBP-AMP/1FBP-AMP_ligand.pdbqt | data/1F/1FBP-AMP/1FBP-AMP_target.pdbqt | data/1F/1FBP-AMP/1FBP-AMP_decoys.pdbqt | data/1F/1FBP-AMP/1FBP-AMP_decoy_scores.csv |
1FT7-PLU | data/1F/1FT7-PLU/1FT7-PLU_ligand.pdbqt | data/1F/1FT7-PLU/1FT7-PLU_target.pdbqt | data/1F/1FT7-PLU/1FT7-PLU_decoys.pdbqt | data/1F/1FT7-PLU/1FT7-PLU_decoy_scores.csv |
1FSA-AMP | data/1F/1FSA-AMP/1FSA-AMP_ligand.pdbqt | data/1F/1FSA-AMP/1FSA-AMP_target.pdbqt | data/1F/1FSA-AMP/1FSA-AMP_decoys.pdbqt | data/1F/1FSA-AMP/1FSA-AMP_decoy_scores.csv |
1F7N-UMP | data/1F/1F7N-UMP/1F7N-UMP_ligand.pdbqt | data/1F/1F7N-UMP/1F7N-UMP_target.pdbqt | data/1F/1F7N-UMP/1F7N-UMP_decoys.pdbqt | data/1F/1F7N-UMP/1F7N-UMP_decoy_scores.csv |
1FWT-E4P | data/1F/1FWT-E4P/1FWT-E4P_ligand.pdbqt | data/1F/1FWT-E4P/1FWT-E4P_target.pdbqt | data/1F/1FWT-E4P/1FWT-E4P_decoys.pdbqt | data/1F/1FWT-E4P/1FWT-E4P_decoy_scores.csv |
1F0T-PR1 | data/1F/1F0T-PR1/1F0T-PR1_ligand.pdbqt | data/1F/1F0T-PR1/1F0T-PR1_target.pdbqt | data/1F/1F0T-PR1/1F0T-PR1_decoys.pdbqt | data/1F/1F0T-PR1/1F0T-PR1_decoy_scores.csv |
1FOA-UD1 | data/1F/1FOA-UD1/1FOA-UD1_ligand.pdbqt | data/1F/1FOA-UD1/1FOA-UD1_target.pdbqt | data/1F/1FOA-UD1/1FOA-UD1_decoys.pdbqt | data/1F/1FOA-UD1/1FOA-UD1_decoy_scores.csv |
1FCZ-156 | data/1F/1FCZ-156/1FCZ-156_ligand.pdbqt | data/1F/1FCZ-156/1FCZ-156_target.pdbqt | data/1F/1FCZ-156/1FCZ-156_decoys.pdbqt | data/1F/1FCZ-156/1FCZ-156_decoy_scores.csv |
1F0R-815 | data/1F/1F0R-815/1F0R-815_ligand.pdbqt | data/1F/1F0R-815/1F0R-815_target.pdbqt | data/1F/1F0R-815/1F0R-815_decoys.pdbqt | data/1F/1F0R-815/1F0R-815_decoy_scores.csv |
1F4Z-RET | data/1F/1F4Z-RET/1F4Z-RET_ligand.pdbqt | data/1F/1F4Z-RET/1F4Z-RET_target.pdbqt | data/1F/1F4Z-RET/1F4Z-RET_decoys.pdbqt | data/1F/1F4Z-RET/1F4Z-RET_decoy_scores.csv |
1FPJ-AHG | data/1F/1FPJ-AHG/1FPJ-AHG_ligand.pdbqt | data/1F/1FPJ-AHG/1FPJ-AHG_target.pdbqt | null | null |
1F5F-DHT | data/1F/1F5F-DHT/1F5F-DHT_ligand.pdbqt | data/1F/1F5F-DHT/1F5F-DHT_target.pdbqt | data/1F/1F5F-DHT/1F5F-DHT_decoys.pdbqt | data/1F/1F5F-DHT/1F5F-DHT_decoy_scores.csv |
1F7B-NAU | data/1F/1F7B-NAU/1F7B-NAU_ligand.pdbqt | data/1F/1F7B-NAU/1F7B-NAU_target.pdbqt | data/1F/1F7B-NAU/1F7B-NAU_decoys.pdbqt | data/1F/1F7B-NAU/1F7B-NAU_decoy_scores.csv |
1FKW-PUR | data/1F/1FKW-PUR/1FKW-PUR_ligand.pdbqt | data/1F/1FKW-PUR/1FKW-PUR_target.pdbqt | data/1F/1FKW-PUR/1FKW-PUR_decoys.pdbqt | data/1F/1FKW-PUR/1FKW-PUR_decoy_scores.csv |
1F9H-APC | data/1F/1F9H-APC/1F9H-APC_ligand.pdbqt | data/1F/1F9H-APC/1F9H-APC_target.pdbqt | data/1F/1F9H-APC/1F9H-APC_decoys.pdbqt | data/1F/1F9H-APC/1F9H-APC_decoy_scores.csv |
1FPE-AMP | data/1F/1FPE-AMP/1FPE-AMP_ligand.pdbqt | data/1F/1FPE-AMP/1FPE-AMP_target.pdbqt | data/1F/1FPE-AMP/1FPE-AMP_decoys.pdbqt | data/1F/1FPE-AMP/1FPE-AMP_decoy_scores.csv |
1F5A-3AT | data/1F/1F5A-3AT/1F5A-3AT_ligand.pdbqt | data/1F/1F5A-3AT/1F5A-3AT_target.pdbqt | data/1F/1F5A-3AT/1F5A-3AT_decoys.pdbqt | data/1F/1F5A-3AT/1F5A-3AT_decoy_scores.csv |
1F4E-TPR | data/1F/1F4E-TPR/1F4E-TPR_ligand.pdbqt | data/1F/1F4E-TPR/1F4E-TPR_target.pdbqt | data/1F/1F4E-TPR/1F4E-TPR_decoys.pdbqt | data/1F/1F4E-TPR/1F4E-TPR_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.