Datasets:
jiangteam
/
DecoyDB

Dataset card Data Studio Files
xet
Community
1
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
⌀
5CBI-4ZC
data/5C/5CBI-4ZC/5CBI-4ZC_ligand.pdbqt
data/5C/5CBI-4ZC/5CBI-4ZC_target.pdbqt
data/5C/5CBI-4ZC/5CBI-4ZC_decoys.pdbqt
data/5C/5CBI-4ZC/5CBI-4ZC_decoy_scores.csv
5CEE-NAD
data/5C/5CEE-NAD/5CEE-NAD_ligand.pdbqt
data/5C/5CEE-NAD/5CEE-NAD_target.pdbqt
data/5C/5CEE-NAD/5CEE-NAD_decoys.pdbqt
data/5C/5CEE-NAD/5CEE-NAD_decoy_scores.csv
5C6A-THP
data/5C/5C6A-THP/5C6A-THP_ligand.pdbqt
data/5C/5C6A-THP/5C6A-THP_target.pdbqt
data/5C/5C6A-THP/5C6A-THP_decoys.pdbqt
data/5C/5C6A-THP/5C6A-THP_decoy_scores.csv
5CP4-CAM
data/5C/5CP4-CAM/5CP4-CAM_ligand.pdbqt
data/5C/5CP4-CAM/5CP4-CAM_target.pdbqt
data/5C/5CP4-CAM/5CP4-CAM_decoys.pdbqt
data/5C/5CP4-CAM/5CP4-CAM_decoy_scores.csv
5CT9-BM0
data/5C/5CT9-BM0/5CT9-BM0_ligand.pdbqt
data/5C/5CT9-BM0/5CT9-BM0_target.pdbqt
data/5C/5CT9-BM0/5CT9-BM0_decoys.pdbqt
data/5C/5CT9-BM0/5CT9-BM0_decoy_scores.csv
5CBK-PE3
data/5C/5CBK-PE3/5CBK-PE3_ligand.pdbqt
data/5C/5CBK-PE3/5CBK-PE3_target.pdbqt
data/5C/5CBK-PE3/5CBK-PE3_decoys.pdbqt
data/5C/5CBK-PE3/5CBK-PE3_decoy_scores.csv
5C1U-GHV
data/5C/5C1U-GHV/5C1U-GHV_ligand.pdbqt
data/5C/5C1U-GHV/5C1U-GHV_target.pdbqt
data/5C/5C1U-GHV/5C1U-GHV_decoys.pdbqt
data/5C/5C1U-GHV/5C1U-GHV_decoy_scores.csv
5CDG-PFB
data/5C/5CDG-PFB/5CDG-PFB_ligand.pdbqt
data/5C/5CDG-PFB/5CDG-PFB_target.pdbqt
data/5C/5CDG-PFB/5CDG-PFB_decoys.pdbqt
data/5C/5CDG-PFB/5CDG-PFB_decoy_scores.csv
5CKS-GAL
data/5C/5CKS-GAL/5CKS-GAL_ligand.pdbqt
data/5C/5CKS-GAL/5CKS-GAL_target.pdbqt
data/5C/5CKS-GAL/5CKS-GAL_decoys.pdbqt
data/5C/5CKS-GAL/5CKS-GAL_decoy_scores.csv
5CT4-BM0
data/5C/5CT4-BM0/5CT4-BM0_ligand.pdbqt
data/5C/5CT4-BM0/5CT4-BM0_target.pdbqt
data/5C/5CT4-BM0/5CT4-BM0_decoys.pdbqt
data/5C/5CT4-BM0/5CT4-BM0_decoy_scores.csv
5C7N-BMF
data/5C/5C7N-BMF/5C7N-BMF_ligand.pdbqt
data/5C/5C7N-BMF/5C7N-BMF_target.pdbqt
data/5C/5C7N-BMF/5C7N-BMF_decoys.pdbqt
data/5C/5C7N-BMF/5C7N-BMF_decoy_scores.csv
5C2F-JTH
data/5C/5C2F-JTH/5C2F-JTH_ligand.pdbqt
data/5C/5C2F-JTH/5C2F-JTH_target.pdbqt
data/5C/5C2F-JTH/5C2F-JTH_decoys.pdbqt
data/5C/5C2F-JTH/5C2F-JTH_decoy_scores.csv
5CU8-54T
data/5C/5CU8-54T/5CU8-54T_ligand.pdbqt
data/5C/5CU8-54T/5CU8-54T_target.pdbqt
data/5C/5CU8-54T/5CU8-54T_decoys.pdbqt
data/5C/5CU8-54T/5CU8-54T_decoy_scores.csv
5C8W-PCG
data/5C/5C8W-PCG/5C8W-PCG_ligand.pdbqt
data/5C/5C8W-PCG/5C8W-PCG_target.pdbqt
data/5C/5C8W-PCG/5C8W-PCG_decoys.pdbqt
data/5C/5C8W-PCG/5C8W-PCG_decoy_scores.csv
5CX0-56L
data/5C/5CX0-56L/5CX0-56L_ligand.pdbqt
data/5C/5CX0-56L/5CX0-56L_target.pdbqt
data/5C/5CX0-56L/5CX0-56L_decoys.pdbqt
data/5C/5CX0-56L/5CX0-56L_decoy_scores.csv
5C4D-UPG
data/5C/5C4D-UPG/5C4D-UPG_ligand.pdbqt
data/5C/5C4D-UPG/5C4D-UPG_target.pdbqt
data/5C/5C4D-UPG/5C4D-UPG_decoys.pdbqt
data/5C/5C4D-UPG/5C4D-UPG_decoy_scores.csv
5CDT-PFB
data/5C/5CDT-PFB/5CDT-PFB_ligand.pdbqt
data/5C/5CDT-PFB/5CDT-PFB_target.pdbqt
data/5C/5CDT-PFB/5CDT-PFB_decoys.pdbqt
data/5C/5CDT-PFB/5CDT-PFB_decoy_scores.csv
5CAU-4ZR
data/5C/5CAU-4ZR/5CAU-4ZR_ligand.pdbqt
data/5C/5CAU-4ZR/5CAU-4ZR_target.pdbqt
data/5C/5CAU-4ZR/5CAU-4ZR_decoys.pdbqt
data/5C/5CAU-4ZR/5CAU-4ZR_decoy_scores.csv
5CV6-THP
data/5C/5CV6-THP/5CV6-THP_ligand.pdbqt
data/5C/5CV6-THP/5CV6-THP_target.pdbqt
data/5C/5CV6-THP/5CV6-THP_decoys.pdbqt
data/5C/5CV6-THP/5CV6-THP_decoy_scores.csv
5CQ6-PDC
data/5C/5CQ6-PDC/5CQ6-PDC_ligand.pdbqt
data/5C/5CQ6-PDC/5CQ6-PDC_target.pdbqt
data/5C/5CQ6-PDC/5CQ6-PDC_decoys.pdbqt
data/5C/5CQ6-PDC/5CQ6-PDC_decoy_scores.csv
5C40-ACP
data/5C/5C40-ACP/5C40-ACP_ligand.pdbqt
data/5C/5C40-ACP/5C40-ACP_target.pdbqt
data/5C/5C40-ACP/5C40-ACP_decoys.pdbqt
data/5C/5C40-ACP/5C40-ACP_decoy_scores.csv
5C79-PBU
data/5C/5C79-PBU/5C79-PBU_ligand.pdbqt
data/5C/5C79-PBU/5C79-PBU_target.pdbqt
data/5C/5C79-PBU/5C79-PBU_decoys.pdbqt
data/5C/5C79-PBU/5C79-PBU_decoy_scores.csv
5CY8-56V
data/5C/5CY8-56V/5CY8-56V_ligand.pdbqt
data/5C/5CY8-56V/5CY8-56V_target.pdbqt
data/5C/5CY8-56V/5CY8-56V_decoys.pdbqt
data/5C/5CY8-56V/5CY8-56V_decoy_scores.csv
5COP-53F
data/5C/5COP-53F/5COP-53F_ligand.pdbqt
data/5C/5COP-53F/5COP-53F_target.pdbqt
data/5C/5COP-53F/5COP-53F_decoys.pdbqt
data/5C/5COP-53F/5COP-53F_decoy_scores.csv
5CU3-54S
data/5C/5CU3-54S/5CU3-54S_ligand.pdbqt
data/5C/5CU3-54S/5CU3-54S_target.pdbqt
data/5C/5CU3-54S/5CU3-54S_decoys.pdbqt
data/5C/5CU3-54S/5CU3-54S_decoy_scores.csv
5CP5-EB0
data/5C/5CP5-EB0/5CP5-EB0_ligand.pdbqt
data/5C/5CP5-EB0/5CP5-EB0_target.pdbqt
data/5C/5CP5-EB0/5CP5-EB0_decoys.pdbqt
data/5C/5CP5-EB0/5CP5-EB0_decoy_scores.csv
5CX8-3DO
data/5C/5CX8-3DO/5CX8-3DO_ligand.pdbqt
data/5C/5CX8-3DO/5CX8-3DO_target.pdbqt
data/5C/5CX8-3DO/5CX8-3DO_decoys.pdbqt
data/5C/5CX8-3DO/5CX8-3DO_decoy_scores.csv
5CIT-GDP
data/5C/5CIT-GDP/5CIT-GDP_ligand.pdbqt
data/5C/5CIT-GDP/5CIT-GDP_target.pdbqt
data/5C/5CIT-GDP/5CIT-GDP_decoys.pdbqt
data/5C/5CIT-GDP/5CIT-GDP_decoy_scores.csv
5CU2-54G
data/5C/5CU2-54G/5CU2-54G_ligand.pdbqt
data/5C/5CU2-54G/5CU2-54G_target.pdbqt
data/5C/5CU2-54G/5CU2-54G_decoys.pdbqt
data/5C/5CU2-54G/5CU2-54G_decoy_scores.csv
5CPL-FNR
data/5C/5CPL-FNR/5CPL-FNR_ligand.pdbqt
data/5C/5CPL-FNR/5CPL-FNR_target.pdbqt
data/5C/5CPL-FNR/5CPL-FNR_decoys.pdbqt
data/5C/5CPL-FNR/5CPL-FNR_decoy_scores.csv
5COO-52Z
data/5C/5COO-52Z/5COO-52Z_ligand.pdbqt
data/5C/5COO-52Z/5COO-52Z_target.pdbqt
data/5C/5COO-52Z/5COO-52Z_decoys.pdbqt
data/5C/5COO-52Z/5COO-52Z_decoy_scores.csv
5CEX-P6G
data/5C/5CEX-P6G/5CEX-P6G_ligand.pdbqt
data/5C/5CEX-P6G/5CEX-P6G_target.pdbqt
data/5C/5CEX-P6G/5CEX-P6G_decoys.pdbqt
data/5C/5CEX-P6G/5CEX-P6G_decoy_scores.csv
5CED-PNM
data/5C/5CED-PNM/5CED-PNM_ligand.pdbqt
data/5C/5CED-PNM/5CED-PNM_target.pdbqt
data/5C/5CED-PNM/5CED-PNM_decoys.pdbqt
data/5C/5CED-PNM/5CED-PNM_decoy_scores.csv
5C7T-APR
data/5C/5C7T-APR/5C7T-APR_ligand.pdbqt
data/5C/5C7T-APR/5C7T-APR_target.pdbqt
data/5C/5C7T-APR/5C7T-APR_decoys.pdbqt
data/5C/5C7T-APR/5C7T-APR_decoy_scores.csv
5CFP-C2E
data/5C/5CFP-C2E/5CFP-C2E_ligand.pdbqt
data/5C/5CFP-C2E/5CFP-C2E_target.pdbqt
data/5C/5CFP-C2E/5CFP-C2E_decoys.pdbqt
data/5C/5CFP-C2E/5CFP-C2E_decoy_scores.csv
5CM7-ADP
data/5C/5CM7-ADP/5CM7-ADP_ligand.pdbqt
data/5C/5CM7-ADP/5CM7-ADP_target.pdbqt
data/5C/5CM7-ADP/5CM7-ADP_decoys.pdbqt
data/5C/5CM7-ADP/5CM7-ADP_decoy_scores.csv
5CUE-54Y
data/5C/5CUE-54Y/5CUE-54Y_ligand.pdbqt
data/5C/5CUE-54Y/5CUE-54Y_target.pdbqt
data/5C/5CUE-54Y/5CUE-54Y_decoys.pdbqt
data/5C/5CUE-54Y/5CUE-54Y_decoy_scores.csv
5C3W-THP
data/5C/5C3W-THP/5C3W-THP_ligand.pdbqt
data/5C/5C3W-THP/5C3W-THP_target.pdbqt
data/5C/5C3W-THP/5C3W-THP_decoys.pdbqt
data/5C/5C3W-THP/5C3W-THP_decoy_scores.csv
5CFW-53W
data/5C/5CFW-53W/5CFW-53W_ligand.pdbqt
data/5C/5CFW-53W/5CFW-53W_target.pdbqt
data/5C/5CFW-53W/5CFW-53W_decoys.pdbqt
data/5C/5CFW-53W/5CFW-53W_decoy_scores.csv
5C8I-MZM
data/5C/5C8I-MZM/5C8I-MZM_ligand.pdbqt
data/5C/5C8I-MZM/5C8I-MZM_target.pdbqt
null
null
5C6J-DO3
data/5C/5C6J-DO3/5C6J-DO3_ligand.pdbqt
data/5C/5C6J-DO3/5C6J-DO3_target.pdbqt
null
null
5CUQ-NSC
data/5C/5CUQ-NSC/5CUQ-NSC_ligand.pdbqt
data/5C/5CUQ-NSC/5CUQ-NSC_target.pdbqt
data/5C/5CUQ-NSC/5CUQ-NSC_decoys.pdbqt
data/5C/5CUQ-NSC/5CUQ-NSC_decoy_scores.csv
5CTM-FLC
data/5C/5CTM-FLC/5CTM-FLC_ligand.pdbqt
data/5C/5CTM-FLC/5CTM-FLC_target.pdbqt
data/5C/5CTM-FLC/5CTM-FLC_decoys.pdbqt
data/5C/5CTM-FLC/5CTM-FLC_decoy_scores.csv
5CEQ-50F
data/5C/5CEQ-50F/5CEQ-50F_ligand.pdbqt
data/5C/5CEQ-50F/5CEQ-50F_target.pdbqt
data/5C/5CEQ-50F/5CEQ-50F_decoys.pdbqt
data/5C/5CEQ-50F/5CEQ-50F_decoy_scores.csv
5C4C-DA8
data/5C/5C4C-DA8/5C4C-DA8_ligand.pdbqt
data/5C/5C4C-DA8/5C4C-DA8_target.pdbqt
data/5C/5C4C-DA8/5C4C-DA8_decoys.pdbqt
data/5C/5C4C-DA8/5C4C-DA8_decoy_scores.csv
5CPN-531
data/5C/5CPN-531/5CPN-531_ligand.pdbqt
data/5C/5CPN-531/5CPN-531_target.pdbqt
data/5C/5CPN-531/5CPN-531_decoys.pdbqt
data/5C/5CPN-531/5CPN-531_decoy_scores.csv
5CRZ-EB7
data/5C/5CRZ-EB7/5CRZ-EB7_ligand.pdbqt
data/5C/5CRZ-EB7/5CRZ-EB7_target.pdbqt
data/5C/5CRZ-EB7/5CRZ-EB7_decoys.pdbqt
data/5C/5CRZ-EB7/5CRZ-EB7_decoy_scores.csv
5CQ7-53G
data/5C/5CQ7-53G/5CQ7-53G_ligand.pdbqt
data/5C/5CQ7-53G/5CQ7-53G_target.pdbqt
data/5C/5CQ7-53G/5CQ7-53G_decoys.pdbqt
data/5C/5CQ7-53G/5CQ7-53G_decoy_scores.csv
5CGQ-F9F
data/5C/5CGQ-F9F/5CGQ-F9F_ligand.pdbqt
data/5C/5CGQ-F9F/5CGQ-F9F_target.pdbqt
null
null
5C4E-4YA
data/5C/5C4E-4YA/5C4E-4YA_ligand.pdbqt
data/5C/5C4E-4YA/5C4E-4YA_target.pdbqt
data/5C/5C4E-4YA/5C4E-4YA_decoys.pdbqt
data/5C/5C4E-4YA/5C4E-4YA_decoy_scores.csv
5C4E-UDP
data/5C/5C4E-UDP/5C4E-UDP_ligand.pdbqt
data/5C/5C4E-UDP/5C4E-UDP_target.pdbqt
data/5C/5C4E-UDP/5C4E-UDP_decoys.pdbqt
data/5C/5C4E-UDP/5C4E-UDP_decoy_scores.csv
5CPN-FNR
data/5C/5CPN-FNR/5CPN-FNR_ligand.pdbqt
data/5C/5CPN-FNR/5CPN-FNR_target.pdbqt
data/5C/5CPN-FNR/5CPN-FNR_decoys.pdbqt
data/5C/5CPN-FNR/5CPN-FNR_decoy_scores.csv
5CVV-SAH
data/5C/5CVV-SAH/5CVV-SAH_ligand.pdbqt
data/5C/5CVV-SAH/5CVV-SAH_target.pdbqt
data/5C/5CVV-SAH/5CVV-SAH_decoys.pdbqt
data/5C/5CVV-SAH/5CVV-SAH_decoy_scores.csv
5CE4-OLA
data/5C/5CE4-OLA/5CE4-OLA_ligand.pdbqt
data/5C/5CE4-OLA/5CE4-OLA_target.pdbqt
null
null
5CYF-FLC
data/5C/5CYF-FLC/5CYF-FLC_ligand.pdbqt
data/5C/5CYF-FLC/5CYF-FLC_target.pdbqt
data/5C/5CYF-FLC/5CYF-FLC_decoys.pdbqt
data/5C/5CYF-FLC/5CYF-FLC_decoy_scores.csv
1IAH-ADP
data/1I/1IAH-ADP/1IAH-ADP_ligand.pdbqt
data/1I/1IAH-ADP/1IAH-ADP_target.pdbqt
data/1I/1IAH-ADP/1IAH-ADP_decoys.pdbqt
data/1I/1IAH-ADP/1IAH-ADP_decoy_scores.csv
1IX1-MHA
data/1I/1IX1-MHA/1IX1-MHA_ligand.pdbqt
data/1I/1IX1-MHA/1IX1-MHA_target.pdbqt
data/1I/1IX1-MHA/1IX1-MHA_decoys.pdbqt
data/1I/1IX1-MHA/1IX1-MHA_decoy_scores.csv
1IF7-SBR
data/1I/1IF7-SBR/1IF7-SBR_ligand.pdbqt
data/1I/1IF7-SBR/1IF7-SBR_target.pdbqt
data/1I/1IF7-SBR/1IF7-SBR_decoys.pdbqt
data/1I/1IF7-SBR/1IF7-SBR_decoy_scores.csv
1IDT-FMN
data/1I/1IDT-FMN/1IDT-FMN_ligand.pdbqt
data/1I/1IDT-FMN/1IDT-FMN_target.pdbqt
data/1I/1IDT-FMN/1IDT-FMN_decoys.pdbqt
data/1I/1IDT-FMN/1IDT-FMN_decoy_scores.csv
1IX1-BB2
data/1I/1IX1-BB2/1IX1-BB2_ligand.pdbqt
data/1I/1IX1-BB2/1IX1-BB2_target.pdbqt
data/1I/1IX1-BB2/1IX1-BB2_decoys.pdbqt
data/1I/1IX1-BB2/1IX1-BB2_decoy_scores.csv
1I6M-TYM
data/1I/1I6M-TYM/1I6M-TYM_ligand.pdbqt
data/1I/1I6M-TYM/1I6M-TYM_target.pdbqt
data/1I/1I6M-TYM/1I6M-TYM_decoys.pdbqt
data/1I/1I6M-TYM/1I6M-TYM_decoy_scores.csv
1IA3-TQ5
data/1I/1IA3-TQ5/1IA3-TQ5_ligand.pdbqt
data/1I/1IA3-TQ5/1IA3-TQ5_target.pdbqt
data/1I/1IA3-TQ5/1IA3-TQ5_decoys.pdbqt
data/1I/1IA3-TQ5/1IA3-TQ5_decoy_scores.csv
1I1E-DM2
data/1I/1I1E-DM2/1I1E-DM2_ligand.pdbqt
data/1I/1I1E-DM2/1I1E-DM2_target.pdbqt
data/1I/1I1E-DM2/1I1E-DM2_decoys.pdbqt
data/1I/1I1E-DM2/1I1E-DM2_decoy_scores.csv
1I3M-NAD
data/1I/1I3M-NAD/1I3M-NAD_ligand.pdbqt
data/1I/1I3M-NAD/1I3M-NAD_target.pdbqt
data/1I/1I3M-NAD/1I3M-NAD_decoys.pdbqt
data/1I/1I3M-NAD/1I3M-NAD_decoy_scores.csv
1IOW-ADP
data/1I/1IOW-ADP/1IOW-ADP_ligand.pdbqt
data/1I/1IOW-ADP/1IOW-ADP_target.pdbqt
data/1I/1IOW-ADP/1IOW-ADP_decoys.pdbqt
data/1I/1IOW-ADP/1IOW-ADP_decoy_scores.csv
1IMB-LIP
data/1I/1IMB-LIP/1IMB-LIP_ligand.pdbqt
data/1I/1IMB-LIP/1IMB-LIP_target.pdbqt
null
null
1ICI-NAD
data/1I/1ICI-NAD/1ICI-NAD_ligand.pdbqt
data/1I/1ICI-NAD/1ICI-NAD_target.pdbqt
data/1I/1ICI-NAD/1ICI-NAD_decoys.pdbqt
data/1I/1ICI-NAD/1ICI-NAD_decoy_scores.csv
1I7Y-CYC
data/1I/1I7Y-CYC/1I7Y-CYC_ligand.pdbqt
data/1I/1I7Y-CYC/1I7Y-CYC_target.pdbqt
data/1I/1I7Y-CYC/1I7Y-CYC_decoys.pdbqt
data/1I/1I7Y-CYC/1I7Y-CYC_decoy_scores.csv
1IMA-IPD
data/1I/1IMA-IPD/1IMA-IPD_ligand.pdbqt
data/1I/1IMA-IPD/1IMA-IPD_target.pdbqt
null
null
1IK4-PGH
data/1I/1IK4-PGH/1IK4-PGH_ligand.pdbqt
data/1I/1IK4-PGH/1IK4-PGH_target.pdbqt
data/1I/1IK4-PGH/1IK4-PGH_decoys.pdbqt
data/1I/1IK4-PGH/1IK4-PGH_decoy_scores.csv
1IEL-CAZ
data/1I/1IEL-CAZ/1IEL-CAZ_ligand.pdbqt
data/1I/1IEL-CAZ/1IEL-CAZ_target.pdbqt
data/1I/1IEL-CAZ/1IEL-CAZ_decoys.pdbqt
data/1I/1IEL-CAZ/1IEL-CAZ_decoy_scores.csv
1I2F-2GP
data/1I/1I2F-2GP/1I2F-2GP_ligand.pdbqt
data/1I/1I2F-2GP/1I2F-2GP_target.pdbqt
data/1I/1I2F-2GP/1I2F-2GP_decoys.pdbqt
data/1I/1I2F-2GP/1I2F-2GP_decoy_scores.csv
1IRJ-CPS
data/1I/1IRJ-CPS/1IRJ-CPS_ligand.pdbqt
data/1I/1IRJ-CPS/1IRJ-CPS_target.pdbqt
data/1I/1IRJ-CPS/1IRJ-CPS_decoys.pdbqt
data/1I/1IRJ-CPS/1IRJ-CPS_decoy_scores.csv
1IH7-GMP
data/1I/1IH7-GMP/1IH7-GMP_ligand.pdbqt
data/1I/1IH7-GMP/1IH7-GMP_target.pdbqt
data/1I/1IH7-GMP/1IH7-GMP_decoys.pdbqt
data/1I/1IH7-GMP/1IH7-GMP_decoy_scores.csv
1I9H-BNI
data/1I/1I9H-BNI/1I9H-BNI_ligand.pdbqt
data/1I/1I9H-BNI/1I9H-BNI_target.pdbqt
data/1I/1I9H-BNI/1I9H-BNI_decoys.pdbqt
data/1I/1I9H-BNI/1I9H-BNI_decoy_scores.csv
1IKI-REY
data/1I/1IKI-REY/1IKI-REY_ligand.pdbqt
data/1I/1IKI-REY/1IKI-REY_target.pdbqt
data/1I/1IKI-REY/1IKI-REY_decoys.pdbqt
data/1I/1IKI-REY/1IKI-REY_decoy_scores.csv
1IPF-TNE
data/1I/1IPF-TNE/1IPF-TNE_ligand.pdbqt
data/1I/1IPF-TNE/1IPF-TNE_target.pdbqt
data/1I/1IPF-TNE/1IPF-TNE_decoys.pdbqt
data/1I/1IPF-TNE/1IPF-TNE_decoy_scores.csv
1IDE-ICT
data/1I/1IDE-ICT/1IDE-ICT_ligand.pdbqt
data/1I/1IDE-ICT/1IDE-ICT_target.pdbqt
data/1I/1IDE-ICT/1IDE-ICT_decoys.pdbqt
data/1I/1IDE-ICT/1IDE-ICT_decoy_scores.csv
1I7G-AZ2
data/1I/1I7G-AZ2/1I7G-AZ2_ligand.pdbqt
data/1I/1I7G-AZ2/1I7G-AZ2_target.pdbqt
data/1I/1I7G-AZ2/1I7G-AZ2_decoys.pdbqt
data/1I/1I7G-AZ2/1I7G-AZ2_decoy_scores.csv
1I0L-PRP
data/1I/1I0L-PRP/1I0L-PRP_ligand.pdbqt
data/1I/1I0L-PRP/1I0L-PRP_target.pdbqt
data/1I/1I0L-PRP/1I0L-PRP_decoys.pdbqt
data/1I/1I0L-PRP/1I0L-PRP_decoy_scores.csv
1I6X-CMP
data/1I/1I6X-CMP/1I6X-CMP_ligand.pdbqt
data/1I/1I6X-CMP/1I6X-CMP_target.pdbqt
data/1I/1I6X-CMP/1I6X-CMP_decoys.pdbqt
data/1I/1I6X-CMP/1I6X-CMP_decoy_scores.csv
1IWN-PG5
data/1I/1IWN-PG5/1IWN-PG5_ligand.pdbqt
data/1I/1IWN-PG5/1IWN-PG5_target.pdbqt
data/1I/1IWN-PG5/1IWN-PG5_decoys.pdbqt
data/1I/1IWN-PG5/1IWN-PG5_decoy_scores.csv
1I8Z-INL
data/1I/1I8Z-INL/1I8Z-INL_ligand.pdbqt
data/1I/1I8Z-INL/1I8Z-INL_target.pdbqt
data/1I/1I8Z-INL/1I8Z-INL_decoys.pdbqt
data/1I/1I8Z-INL/1I8Z-INL_decoy_scores.csv
1I7I-AZ2
data/1I/1I7I-AZ2/1I7I-AZ2_ligand.pdbqt
data/1I/1I7I-AZ2/1I7I-AZ2_target.pdbqt
data/1I/1I7I-AZ2/1I7I-AZ2_decoys.pdbqt
data/1I/1I7I-AZ2/1I7I-AZ2_decoy_scores.csv
1IBV-PVH
data/1I/1IBV-PVH/1IBV-PVH_ligand.pdbqt
data/1I/1IBV-PVH/1IBV-PVH_target.pdbqt
data/1I/1IBV-PVH/1IBV-PVH_decoys.pdbqt
data/1I/1IBV-PVH/1IBV-PVH_decoy_scores.csv
1IXN-DXP
data/1I/1IXN-DXP/1IXN-DXP_ligand.pdbqt
data/1I/1IXN-DXP/1IXN-DXP_target.pdbqt
data/1I/1IXN-DXP/1IXN-DXP_decoys.pdbqt
data/1I/1IXN-DXP/1IXN-DXP_decoy_scores.csv
1IOV-POB
data/1I/1IOV-POB/1IOV-POB_ligand.pdbqt
data/1I/1IOV-POB/1IOV-POB_target.pdbqt
data/1I/1IOV-POB/1IOV-POB_decoys.pdbqt
data/1I/1IOV-POB/1IOV-POB_decoy_scores.csv
1IG1-ANP
data/1I/1IG1-ANP/1IG1-ANP_ligand.pdbqt
data/1I/1IG1-ANP/1IG1-ANP_target.pdbqt
data/1I/1IG1-ANP/1IG1-ANP_decoys.pdbqt
data/1I/1IG1-ANP/1IG1-ANP_decoy_scores.csv
1ICQ-FMN
data/1I/1ICQ-FMN/1ICQ-FMN_ligand.pdbqt
data/1I/1ICQ-FMN/1ICQ-FMN_target.pdbqt
data/1I/1ICQ-FMN/1ICQ-FMN_decoys.pdbqt
data/1I/1ICQ-FMN/1ICQ-FMN_decoy_scores.csv
1I7S-TRP
data/1I/1I7S-TRP/1I7S-TRP_ligand.pdbqt
data/1I/1I7S-TRP/1I7S-TRP_target.pdbqt
data/1I/1I7S-TRP/1I7S-TRP_decoys.pdbqt
data/1I/1I7S-TRP/1I7S-TRP_decoy_scores.csv
1I0S-FMN
data/1I/1I0S-FMN/1I0S-FMN_ligand.pdbqt
data/1I/1I0S-FMN/1I0S-FMN_target.pdbqt
data/1I/1I0S-FMN/1I0S-FMN_decoys.pdbqt
data/1I/1I0S-FMN/1I0S-FMN_decoy_scores.csv
1I00-UMP
data/1I/1I00-UMP/1I00-UMP_ligand.pdbqt
data/1I/1I00-UMP/1I00-UMP_target.pdbqt
data/1I/1I00-UMP/1I00-UMP_decoys.pdbqt
data/1I/1I00-UMP/1I00-UMP_decoy_scores.csv
1I7Q-GLU
data/1I/1I7Q-GLU/1I7Q-GLU_ligand.pdbqt
data/1I/1I7Q-GLU/1I7Q-GLU_target.pdbqt
data/1I/1I7Q-GLU/1I7Q-GLU_decoys.pdbqt
data/1I/1I7Q-GLU/1I7Q-GLU_decoy_scores.csv
1ICN-OLA
data/1I/1ICN-OLA/1ICN-OLA_ligand.pdbqt
data/1I/1ICN-OLA/1ICN-OLA_target.pdbqt
data/1I/1ICN-OLA/1ICN-OLA_decoys.pdbqt
data/1I/1ICN-OLA/1ICN-OLA_decoy_scores.csv
1IDB-0DO
data/1I/1IDB-0DO/1IDB-0DO_ligand.pdbqt
data/1I/1IDB-0DO/1IDB-0DO_target.pdbqt
data/1I/1IDB-0DO/1IDB-0DO_decoys.pdbqt
data/1I/1IDB-0DO/1IDB-0DO_decoy_scores.csv
1I1L-2ML
data/1I/1I1L-2ML/1I1L-2ML_ligand.pdbqt
data/1I/1I1L-2ML/1I1L-2ML_target.pdbqt
data/1I/1I1L-2ML/1I1L-2ML_decoys.pdbqt
data/1I/1I1L-2ML/1I1L-2ML_decoy_scores.csv
1I7L-ATP
data/1I/1I7L-ATP/1I7L-ATP_ligand.pdbqt
data/1I/1I7L-ATP/1I7L-ATP_target.pdbqt
data/1I/1I7L-ATP/1I7L-ATP_decoys.pdbqt
data/1I/1I7L-ATP/1I7L-ATP_decoy_scores.csv
1I7A-PHE
data/1I/1I7A-PHE/1I7A-PHE_ligand.pdbqt
data/1I/1I7A-PHE/1I7A-PHE_target.pdbqt
data/1I/1I7A-PHE/1I7A-PHE_decoys.pdbqt
data/1I/1I7A-PHE/1I7A-PHE_decoy_scores.csv
1I4D-GDP
data/1I/1I4D-GDP/1I4D-GDP_ligand.pdbqt
data/1I/1I4D-GDP/1I4D-GDP_target.pdbqt
data/1I/1I4D-GDP/1I4D-GDP_decoys.pdbqt
data/1I/1I4D-GDP/1I4D-GDP_decoy_scores.csv
1IR2-CAP
data/1I/1IR2-CAP/1IR2-CAP_ligand.pdbqt
data/1I/1IR2-CAP/1IR2-CAP_target.pdbqt
data/1I/1IR2-CAP/1IR2-CAP_decoys.pdbqt
data/1I/1IR2-CAP/1IR2-CAP_decoy_scores.csv