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
⌀
1I3N-UD1
data/1I/1I3N-UD1/1I3N-UD1_ligand.pdbqt
data/1I/1I3N-UD1/1I3N-UD1_target.pdbqt
data/1I/1I3N-UD1/1I3N-UD1_decoys.pdbqt
data/1I/1I3N-UD1/1I3N-UD1_decoy_scores.csv
1I05-LTL
data/1I/1I05-LTL/1I05-LTL_ligand.pdbqt
data/1I/1I05-LTL/1I05-LTL_target.pdbqt
data/1I/1I05-LTL/1I05-LTL_decoys.pdbqt
data/1I/1I05-LTL/1I05-LTL_decoy_scores.csv
1INF-ST4
data/1I/1INF-ST4/1INF-ST4_ligand.pdbqt
data/1I/1INF-ST4/1INF-ST4_target.pdbqt
data/1I/1INF-ST4/1INF-ST4_decoys.pdbqt
data/1I/1INF-ST4/1INF-ST4_decoy_scores.csv
1I2E-2GP
data/1I/1I2E-2GP/1I2E-2GP_ligand.pdbqt
data/1I/1I2E-2GP/1I2E-2GP_target.pdbqt
data/1I/1I2E-2GP/1I2E-2GP_decoys.pdbqt
data/1I/1I2E-2GP/1I2E-2GP_decoy_scores.csv
1I5C-ADP
data/1I/1I5C-ADP/1I5C-ADP_ligand.pdbqt
data/1I/1I5C-ADP/1I5C-ADP_target.pdbqt
data/1I/1I5C-ADP/1I5C-ADP_decoys.pdbqt
data/1I/1I5C-ADP/1I5C-ADP_decoy_scores.csv
1I3K-NAD
data/1I/1I3K-NAD/1I3K-NAD_ligand.pdbqt
data/1I/1I3K-NAD/1I3K-NAD_target.pdbqt
data/1I/1I3K-NAD/1I3K-NAD_decoys.pdbqt
data/1I/1I3K-NAD/1I3K-NAD_decoy_scores.csv
1I13-PRP
data/1I/1I13-PRP/1I13-PRP_ligand.pdbqt
data/1I/1I13-PRP/1I13-PRP_target.pdbqt
data/1I/1I13-PRP/1I13-PRP_decoys.pdbqt
data/1I/1I13-PRP/1I13-PRP_decoy_scores.csv
1IUV-PHB
data/1I/1IUV-PHB/1IUV-PHB_ligand.pdbqt
data/1I/1IUV-PHB/1IUV-PHB_target.pdbqt
data/1I/1IUV-PHB/1IUV-PHB_decoys.pdbqt
data/1I/1IUV-PHB/1IUV-PHB_decoy_scores.csv
1IN7-ADP
data/1I/1IN7-ADP/1IN7-ADP_ligand.pdbqt
data/1I/1IN7-ADP/1IN7-ADP_target.pdbqt
data/1I/1IN7-ADP/1IN7-ADP_decoys.pdbqt
data/1I/1IN7-ADP/1IN7-ADP_decoy_scores.csv
1I58-ACP
data/1I/1I58-ACP/1I58-ACP_ligand.pdbqt
data/1I/1I58-ACP/1I58-ACP_target.pdbqt
data/1I/1I58-ACP/1I58-ACP_decoys.pdbqt
data/1I/1I58-ACP/1I58-ACP_decoy_scores.csv
1IR1-CAP
data/1I/1IR1-CAP/1IR1-CAP_ligand.pdbqt
data/1I/1IR1-CAP/1IR1-CAP_target.pdbqt
data/1I/1IR1-CAP/1IR1-CAP_decoys.pdbqt
data/1I/1IR1-CAP/1IR1-CAP_decoy_scores.csv
1IVB-ST1
data/1I/1IVB-ST1/1IVB-ST1_ligand.pdbqt
data/1I/1IVB-ST1/1IVB-ST1_target.pdbqt
data/1I/1IVB-ST1/1IVB-ST1_decoys.pdbqt
data/1I/1IVB-ST1/1IVB-ST1_decoy_scores.csv
1IUC-FUC
data/1I/1IUC-FUC/1IUC-FUC_ligand.pdbqt
data/1I/1IUC-FUC/1IUC-FUC_target.pdbqt
data/1I/1IUC-FUC/1IUC-FUC_decoys.pdbqt
data/1I/1IUC-FUC/1IUC-FUC_decoy_scores.csv
1IJ8-BNI
data/1I/1IJ8-BNI/1IJ8-BNI_ligand.pdbqt
data/1I/1IJ8-BNI/1IJ8-BNI_target.pdbqt
data/1I/1IJ8-BNI/1IJ8-BNI_decoys.pdbqt
data/1I/1IJ8-BNI/1IJ8-BNI_decoy_scores.csv
1IKG-REX
data/1I/1IKG-REX/1IKG-REX_ligand.pdbqt
data/1I/1IKG-REX/1IKG-REX_target.pdbqt
data/1I/1IKG-REX/1IKG-REX_decoys.pdbqt
data/1I/1IKG-REX/1IKG-REX_decoy_scores.csv
1I7A-FLC
data/1I/1I7A-FLC/1I7A-FLC_ligand.pdbqt
data/1I/1I7A-FLC/1I7A-FLC_target.pdbqt
data/1I/1I7A-FLC/1I7A-FLC_decoys.pdbqt
data/1I/1I7A-FLC/1I7A-FLC_decoy_scores.csv
1ION-ADP
data/1I/1ION-ADP/1ION-ADP_ligand.pdbqt
data/1I/1ION-ADP/1ION-ADP_target.pdbqt
data/1I/1ION-ADP/1ION-ADP_decoys.pdbqt
data/1I/1ION-ADP/1ION-ADP_decoy_scores.csv
1I53-DPT
data/1I/1I53-DPT/1I53-DPT_ligand.pdbqt
data/1I/1I53-DPT/1I53-DPT_target.pdbqt
null
null
1IOL-EST
data/1I/1IOL-EST/1IOL-EST_ligand.pdbqt
data/1I/1IOL-EST/1IOL-EST_target.pdbqt
data/1I/1IOL-EST/1IOL-EST_decoys.pdbqt
data/1I/1IOL-EST/1IOL-EST_decoy_scores.csv
1IUW-PHB
data/1I/1IUW-PHB/1IUW-PHB_ligand.pdbqt
data/1I/1IUW-PHB/1IUW-PHB_target.pdbqt
data/1I/1IUW-PHB/1IUW-PHB_decoys.pdbqt
data/1I/1IUW-PHB/1IUW-PHB_decoy_scores.csv
1I5R-HYC
data/1I/1I5R-HYC/1I5R-HYC_ligand.pdbqt
data/1I/1I5R-HYC/1I5R-HYC_target.pdbqt
data/1I/1I5R-HYC/1I5R-HYC_decoys.pdbqt
data/1I/1I5R-HYC/1I5R-HYC_decoy_scores.csv
1I7Z-COC
data/1I/1I7Z-COC/1I7Z-COC_ligand.pdbqt
data/1I/1I7Z-COC/1I7Z-COC_target.pdbqt
data/1I/1I7Z-COC/1I7Z-COC_decoys.pdbqt
data/1I/1I7Z-COC/1I7Z-COC_decoy_scores.csv
1IWJ-CAM
data/1I/1IWJ-CAM/1IWJ-CAM_ligand.pdbqt
data/1I/1IWJ-CAM/1IWJ-CAM_target.pdbqt
data/1I/1IWJ-CAM/1IWJ-CAM_decoys.pdbqt
data/1I/1IWJ-CAM/1IWJ-CAM_decoy_scores.csv
1IUC-FUL
data/1I/1IUC-FUL/1IUC-FUL_ligand.pdbqt
data/1I/1IUC-FUL/1IUC-FUL_target.pdbqt
data/1I/1IUC-FUL/1IUC-FUL_decoys.pdbqt
data/1I/1IUC-FUL/1IUC-FUL_decoy_scores.csv
1IV4-C5P
data/1I/1IV4-C5P/1IV4-C5P_ligand.pdbqt
data/1I/1IV4-C5P/1IV4-C5P_target.pdbqt
data/1I/1IV4-C5P/1IV4-C5P_decoys.pdbqt
data/1I/1IV4-C5P/1IV4-C5P_decoy_scores.csv
1I3L-NAD
data/1I/1I3L-NAD/1I3L-NAD_ligand.pdbqt
data/1I/1I3L-NAD/1I3L-NAD_target.pdbqt
data/1I/1I3L-NAD/1I3L-NAD_decoys.pdbqt
data/1I/1I3L-NAD/1I3L-NAD_decoy_scores.csv
1IUU-PAB
data/1I/1IUU-PAB/1IUU-PAB_ligand.pdbqt
data/1I/1IUU-PAB/1IUU-PAB_target.pdbqt
data/1I/1IUU-PAB/1IUU-PAB_decoys.pdbqt
data/1I/1IUU-PAB/1IUU-PAB_decoy_scores.csv
1IOV-ADP
data/1I/1IOV-ADP/1IOV-ADP_ligand.pdbqt
data/1I/1IOV-ADP/1IOV-ADP_target.pdbqt
data/1I/1IOV-ADP/1IOV-ADP_decoys.pdbqt
data/1I/1IOV-ADP/1IOV-ADP_decoy_scores.csv
1I5B-ANP
data/1I/1I5B-ANP/1I5B-ANP_ligand.pdbqt
data/1I/1I5B-ANP/1I5B-ANP_target.pdbqt
data/1I/1I5B-ANP/1I5B-ANP_decoys.pdbqt
data/1I/1I5B-ANP/1I5B-ANP_decoy_scores.csv
1IXO-G3P
data/1I/1IXO-G3P/1IXO-G3P_ligand.pdbqt
data/1I/1IXO-G3P/1IXO-G3P_target.pdbqt
data/1I/1IXO-G3P/1IXO-G3P_decoys.pdbqt
data/1I/1IXO-G3P/1IXO-G3P_decoy_scores.csv
1IY7-CXA
data/1I/1IY7-CXA/1IY7-CXA_ligand.pdbqt
data/1I/1IY7-CXA/1IY7-CXA_target.pdbqt
data/1I/1IY7-CXA/1IY7-CXA_decoys.pdbqt
data/1I/1IY7-CXA/1IY7-CXA_decoy_scores.csv
1ISZ-GAL
data/1I/1ISZ-GAL/1ISZ-GAL_ligand.pdbqt
data/1I/1ISZ-GAL/1ISZ-GAL_target.pdbqt
data/1I/1ISZ-GAL/1ISZ-GAL_decoys.pdbqt
data/1I/1ISZ-GAL/1ISZ-GAL_decoy_scores.csv
1I91-INQ
data/1I/1I91-INQ/1I91-INQ_ligand.pdbqt
data/1I/1I91-INQ/1I91-INQ_target.pdbqt
data/1I/1I91-INQ/1I91-INQ_decoys.pdbqt
data/1I/1I91-INQ/1I91-INQ_decoy_scores.csv
1ID0-ANP
data/1I/1ID0-ANP/1ID0-ANP_ligand.pdbqt
data/1I/1ID0-ANP/1ID0-ANP_target.pdbqt
data/1I/1ID0-ANP/1ID0-ANP_decoys.pdbqt
data/1I/1ID0-ANP/1ID0-ANP_decoy_scores.csv
1I1N-SAH
data/1I/1I1N-SAH/1I1N-SAH_ligand.pdbqt
data/1I/1I1N-SAH/1I1N-SAH_target.pdbqt
data/1I/1I1N-SAH/1I1N-SAH_decoys.pdbqt
data/1I/1I1N-SAH/1I1N-SAH_decoy_scores.csv
1IWH-PEM
data/1I/1IWH-PEM/1IWH-PEM_ligand.pdbqt
data/1I/1IWH-PEM/1IWH-PEM_target.pdbqt
data/1I/1IWH-PEM/1IWH-PEM_decoys.pdbqt
data/1I/1IWH-PEM/1IWH-PEM_decoy_scores.csv
1I3U-RR1
data/1I/1I3U-RR1/1I3U-RR1_ligand.pdbqt
data/1I/1I3U-RR1/1I3U-RR1_target.pdbqt
data/1I/1I3U-RR1/1I3U-RR1_decoys.pdbqt
data/1I/1I3U-RR1/1I3U-RR1_decoy_scores.csv
1IPC-MGP
data/1I/1IPC-MGP/1IPC-MGP_ligand.pdbqt
data/1I/1IPC-MGP/1IPC-MGP_target.pdbqt
data/1I/1IPC-MGP/1IPC-MGP_decoys.pdbqt
data/1I/1IPC-MGP/1IPC-MGP_decoy_scores.csv
1IBR-GNP
data/1I/1IBR-GNP/1IBR-GNP_ligand.pdbqt
data/1I/1IBR-GNP/1IBR-GNP_target.pdbqt
data/1I/1IBR-GNP/1IBR-GNP_decoys.pdbqt
data/1I/1IBR-GNP/1IBR-GNP_decoy_scores.csv
1I2C-UPG
data/1I/1I2C-UPG/1I2C-UPG_ligand.pdbqt
data/1I/1I2C-UPG/1I2C-UPG_target.pdbqt
data/1I/1I2C-UPG/1I2C-UPG_decoys.pdbqt
data/1I/1I2C-UPG/1I2C-UPG_decoy_scores.csv
1IK3-13S
data/1I/1IK3-13S/1IK3-13S_ligand.pdbqt
data/1I/1IK3-13S/1IK3-13S_target.pdbqt
data/1I/1IK3-13S/1IK3-13S_decoys.pdbqt
data/1I/1IK3-13S/1IK3-13S_decoy_scores.csv
1IFX-DND
data/1I/1IFX-DND/1IFX-DND_ligand.pdbqt
data/1I/1IFX-DND/1IFX-DND_target.pdbqt
data/1I/1IFX-DND/1IFX-DND_decoys.pdbqt
data/1I/1IFX-DND/1IFX-DND_decoy_scores.csv
1I9C-5AD
data/1I/1I9C-5AD/1I9C-5AD_ligand.pdbqt
data/1I/1I9C-5AD/1I9C-5AD_target.pdbqt
data/1I/1I9C-5AD/1I9C-5AD_decoys.pdbqt
data/1I/1I9C-5AD/1I9C-5AD_decoy_scores.csv
1I0I-7HP
data/1I/1I0I-7HP/1I0I-7HP_ligand.pdbqt
data/1I/1I0I-7HP/1I0I-7HP_target.pdbqt
data/1I/1I0I-7HP/1I0I-7HP_decoys.pdbqt
data/1I/1I0I-7HP/1I0I-7HP_decoy_scores.csv
1I59-ANP
data/1I/1I59-ANP/1I59-ANP_ligand.pdbqt
data/1I/1I59-ANP/1I59-ANP_target.pdbqt
data/1I/1I59-ANP/1I59-ANP_decoys.pdbqt
data/1I/1I59-ANP/1I59-ANP_decoy_scores.csv
1IKT-OXN
data/1I/1IKT-OXN/1IKT-OXN_ligand.pdbqt
data/1I/1IKT-OXN/1IKT-OXN_target.pdbqt
data/1I/1IKT-OXN/1IKT-OXN_decoys.pdbqt
data/1I/1IKT-OXN/1IKT-OXN_decoy_scores.csv
1I2C-NAD
data/1I/1I2C-NAD/1I2C-NAD_ligand.pdbqt
data/1I/1I2C-NAD/1I2C-NAD_target.pdbqt
data/1I/1I2C-NAD/1I2C-NAD_decoys.pdbqt
data/1I/1I2C-NAD/1I2C-NAD_decoy_scores.csv
1I8J-DSB
data/1I/1I8J-DSB/1I8J-DSB_ligand.pdbqt
data/1I/1I8J-DSB/1I8J-DSB_target.pdbqt
data/1I/1I8J-DSB/1I8J-DSB_decoys.pdbqt
data/1I/1I8J-DSB/1I8J-DSB_decoy_scores.csv
1I79-MHZ
data/1I/1I79-MHZ/1I79-MHZ_ligand.pdbqt
data/1I/1I79-MHZ/1I79-MHZ_target.pdbqt
data/1I/1I79-MHZ/1I79-MHZ_decoys.pdbqt
data/1I/1I79-MHZ/1I79-MHZ_decoy_scores.csv
1I9P-IOE
data/1I/1I9P-IOE/1I9P-IOE_ligand.pdbqt
data/1I/1I9P-IOE/1I9P-IOE_target.pdbqt
data/1I/1I9P-IOE/1I9P-IOE_decoys.pdbqt
data/1I/1I9P-IOE/1I9P-IOE_decoy_scores.csv
1IYO-CEF
data/1I/1IYO-CEF/1IYO-CEF_ligand.pdbqt
data/1I/1IYO-CEF/1IYO-CEF_target.pdbqt
data/1I/1IYO-CEF/1IYO-CEF_decoys.pdbqt
data/1I/1IYO-CEF/1IYO-CEF_decoy_scores.csv
1I2W-1QL
data/1I/1I2W-1QL/1I2W-1QL_ligand.pdbqt
data/1I/1I2W-1QL/1I2W-1QL_target.pdbqt
data/1I/1I2W-1QL/1I2W-1QL_decoys.pdbqt
data/1I/1I2W-1QL/1I2W-1QL_decoy_scores.csv
1I14-7HP
data/1I/1I14-7HP/1I14-7HP_ligand.pdbqt
data/1I/1I14-7HP/1I14-7HP_target.pdbqt
data/1I/1I14-7HP/1I14-7HP_decoys.pdbqt
data/1I/1I14-7HP/1I14-7HP_decoy_scores.csv
1IG0-VIB
data/1I/1IG0-VIB/1IG0-VIB_ligand.pdbqt
data/1I/1IG0-VIB/1IG0-VIB_target.pdbqt
data/1I/1IG0-VIB/1IG0-VIB_decoys.pdbqt
data/1I/1IG0-VIB/1IG0-VIB_decoy_scores.csv
1IN4-ADP
data/1I/1IN4-ADP/1IN4-ADP_ligand.pdbqt
data/1I/1IN4-ADP/1IN4-ADP_target.pdbqt
data/1I/1IN4-ADP/1IN4-ADP_decoys.pdbqt
data/1I/1IN4-ADP/1IN4-ADP_decoy_scores.csv
1ITU-CIL
data/1I/1ITU-CIL/1ITU-CIL_ligand.pdbqt
data/1I/1ITU-CIL/1ITU-CIL_target.pdbqt
data/1I/1ITU-CIL/1ITU-CIL_decoys.pdbqt
data/1I/1ITU-CIL/1ITU-CIL_decoy_scores.csv
1IF9-SBB
data/1I/1IF9-SBB/1IF9-SBB_ligand.pdbqt
data/1I/1IF9-SBB/1IF9-SBB_target.pdbqt
data/1I/1IF9-SBB/1IF9-SBB_decoys.pdbqt
data/1I/1IF9-SBB/1IF9-SBB_decoy_scores.csv
1IUX-PHB
data/1I/1IUX-PHB/1IUX-PHB_ligand.pdbqt
data/1I/1IUX-PHB/1IUX-PHB_target.pdbqt
data/1I/1IUX-PHB/1IUX-PHB_decoys.pdbqt
data/1I/1IUX-PHB/1IUX-PHB_decoy_scores.csv
1I3K-UPG
data/1I/1I3K-UPG/1I3K-UPG_ligand.pdbqt
data/1I/1I3K-UPG/1I3K-UPG_target.pdbqt
data/1I/1I3K-UPG/1I3K-UPG_decoys.pdbqt
data/1I/1I3K-UPG/1I3K-UPG_decoy_scores.csv
1INV-EQP
data/1I/1INV-EQP/1INV-EQP_ligand.pdbqt
data/1I/1INV-EQP/1INV-EQP_target.pdbqt
data/1I/1INV-EQP/1INV-EQP_decoys.pdbqt
data/1I/1INV-EQP/1INV-EQP_decoy_scores.csv
1IF2-129
data/1I/1IF2-129/1IF2-129_ligand.pdbqt
data/1I/1IF2-129/1IF2-129_target.pdbqt
data/1I/1IF2-129/1IF2-129_decoys.pdbqt
data/1I/1IF2-129/1IF2-129_decoy_scores.csv
1IHU-ADP
data/1I/1IHU-ADP/1IHU-ADP_ligand.pdbqt
data/1I/1IHU-ADP/1IHU-ADP_target.pdbqt
null
null
1IZO-PAM
data/1I/1IZO-PAM/1IZO-PAM_ligand.pdbqt
data/1I/1IZO-PAM/1IZO-PAM_target.pdbqt
data/1I/1IZO-PAM/1IZO-PAM_decoys.pdbqt
data/1I/1IZO-PAM/1IZO-PAM_decoy_scores.csv
1I2B-USQ
data/1I/1I2B-USQ/1I2B-USQ_ligand.pdbqt
data/1I/1I2B-USQ/1I2B-USQ_target.pdbqt
data/1I/1I2B-USQ/1I2B-USQ_decoys.pdbqt
data/1I/1I2B-USQ/1I2B-USQ_decoy_scores.csv
1IE3-NAD
data/1I/1IE3-NAD/1IE3-NAD_ligand.pdbqt
data/1I/1IE3-NAD/1IE3-NAD_target.pdbqt
data/1I/1IE3-NAD/1IE3-NAD_decoys.pdbqt
data/1I/1IE3-NAD/1IE3-NAD_decoy_scores.csv
1I24-UPG
data/1I/1I24-UPG/1I24-UPG_ligand.pdbqt
data/1I/1I24-UPG/1I24-UPG_target.pdbqt
data/1I/1I24-UPG/1I24-UPG_decoys.pdbqt
data/1I/1I24-UPG/1I24-UPG_decoy_scores.csv
1IF4-FBS
data/1I/1IF4-FBS/1IF4-FBS_ligand.pdbqt
data/1I/1IF4-FBS/1IF4-FBS_target.pdbqt
data/1I/1IF4-FBS/1IF4-FBS_decoys.pdbqt
data/1I/1IF4-FBS/1IF4-FBS_decoy_scores.csv
1I0V-2GP
data/1I/1I0V-2GP/1I0V-2GP_ligand.pdbqt
data/1I/1I0V-2GP/1I0V-2GP_target.pdbqt
data/1I/1I0V-2GP/1I0V-2GP_decoys.pdbqt
data/1I/1I0V-2GP/1I0V-2GP_decoy_scores.csv
1ITW-ICT
data/1I/1ITW-ICT/1ITW-ICT_ligand.pdbqt
data/1I/1ITW-ICT/1ITW-ICT_target.pdbqt
data/1I/1ITW-ICT/1ITW-ICT_decoys.pdbqt
data/1I/1ITW-ICT/1ITW-ICT_decoy_scores.csv
1I6K-TYM
data/1I/1I6K-TYM/1I6K-TYM_ligand.pdbqt
data/1I/1I6K-TYM/1I6K-TYM_target.pdbqt
data/1I/1I6K-TYM/1I6K-TYM_decoys.pdbqt
data/1I/1I6K-TYM/1I6K-TYM_decoy_scores.csv
1ICS-FMN
data/1I/1ICS-FMN/1ICS-FMN_ligand.pdbqt
data/1I/1ICS-FMN/1ICS-FMN_target.pdbqt
data/1I/1ICS-FMN/1ICS-FMN_decoys.pdbqt
data/1I/1ICS-FMN/1ICS-FMN_decoy_scores.csv
1I5S-ADP
data/1I/1I5S-ADP/1I5S-ADP_ligand.pdbqt
data/1I/1I5S-ADP/1I5S-ADP_target.pdbqt
data/1I/1I5S-ADP/1I5S-ADP_decoys.pdbqt
data/1I/1I5S-ADP/1I5S-ADP_decoy_scores.csv
1I37-DHT
data/1I/1I37-DHT/1I37-DHT_ligand.pdbqt
data/1I/1I37-DHT/1I37-DHT_target.pdbqt
data/1I/1I37-DHT/1I37-DHT_decoys.pdbqt
data/1I/1I37-DHT/1I37-DHT_decoy_scores.csv
1IEP-STI
data/1I/1IEP-STI/1IEP-STI_ligand.pdbqt
data/1I/1IEP-STI/1IEP-STI_target.pdbqt
data/1I/1IEP-STI/1IEP-STI_decoys.pdbqt
data/1I/1IEP-STI/1IEP-STI_decoy_scores.csv
1I0X-2GP
data/1I/1I0X-2GP/1I0X-2GP_ligand.pdbqt
data/1I/1I0X-2GP/1I0X-2GP_target.pdbqt
data/1I/1I0X-2GP/1I0X-2GP_decoys.pdbqt
data/1I/1I0X-2GP/1I0X-2GP_decoy_scores.csv
1IF5-FBT
data/1I/1IF5-FBT/1IF5-FBT_ligand.pdbqt
data/1I/1IF5-FBT/1IF5-FBT_target.pdbqt
data/1I/1IF5-FBT/1IF5-FBT_decoys.pdbqt
data/1I/1IF5-FBT/1IF5-FBT_decoy_scores.csv
1IN5-ADP
data/1I/1IN5-ADP/1IN5-ADP_ligand.pdbqt
data/1I/1IN5-ADP/1IN5-ADP_target.pdbqt
data/1I/1IN5-ADP/1IN5-ADP_decoys.pdbqt
data/1I/1IN5-ADP/1IN5-ADP_decoy_scores.csv
1IXN-G3P
data/1I/1IXN-G3P/1IXN-G3P_ligand.pdbqt
data/1I/1IXN-G3P/1IXN-G3P_target.pdbqt
data/1I/1IXN-G3P/1IXN-G3P_decoys.pdbqt
data/1I/1IXN-G3P/1IXN-G3P_decoy_scores.csv
1IIH-3PG
data/1I/1IIH-3PG/1IIH-3PG_ligand.pdbqt
data/1I/1IIH-3PG/1IIH-3PG_target.pdbqt
data/1I/1IIH-3PG/1IIH-3PG_decoys.pdbqt
data/1I/1IIH-3PG/1IIH-3PG_decoy_scores.csv
1IUS-PAB
data/1I/1IUS-PAB/1IUS-PAB_ligand.pdbqt
data/1I/1IUS-PAB/1IUS-PAB_target.pdbqt
data/1I/1IUS-PAB/1IUS-PAB_decoys.pdbqt
data/1I/1IUS-PAB/1IUS-PAB_decoy_scores.csv
1INC-ICL
data/1I/1INC-ICL/1INC-ICL_ligand.pdbqt
data/1I/1INC-ICL/1INC-ICL_target.pdbqt
data/1I/1INC-ICL/1INC-ICL_decoys.pdbqt
data/1I/1INC-ICL/1INC-ICL_decoy_scores.csv
1I3M-UD1
data/1I/1I3M-UD1/1I3M-UD1_ligand.pdbqt
data/1I/1I3M-UD1/1I3M-UD1_target.pdbqt
data/1I/1I3M-UD1/1I3M-UD1_decoys.pdbqt
data/1I/1I3M-UD1/1I3M-UD1_decoy_scores.csv
1I30-826
data/1I/1I30-826/1I30-826_ligand.pdbqt
data/1I/1I30-826/1I30-826_target.pdbqt
data/1I/1I30-826/1I30-826_decoys.pdbqt
data/1I/1I30-826/1I30-826_decoy_scores.csv
1IY8-NAD
data/1I/1IY8-NAD/1IY8-NAD_ligand.pdbqt
data/1I/1IY8-NAD/1IY8-NAD_target.pdbqt
data/1I/1IY8-NAD/1IY8-NAD_decoys.pdbqt
data/1I/1IY8-NAD/1IY8-NAD_decoy_scores.csv
1I7C-MGB
data/1I/1I7C-MGB/1I7C-MGB_ligand.pdbqt
data/1I/1I7C-MGB/1I7C-MGB_target.pdbqt
data/1I/1I7C-MGB/1I7C-MGB_decoys.pdbqt
data/1I/1I7C-MGB/1I7C-MGB_decoy_scores.csv
1I14-PRP
data/1I/1I14-PRP/1I14-PRP_ligand.pdbqt
data/1I/1I14-PRP/1I14-PRP_target.pdbqt
data/1I/1I14-PRP/1I14-PRP_decoys.pdbqt
data/1I/1I14-PRP/1I14-PRP_decoy_scores.csv
1IL0-NAD
data/1I/1IL0-NAD/1IL0-NAD_ligand.pdbqt
data/1I/1IL0-NAD/1IL0-NAD_target.pdbqt
data/1I/1IL0-NAD/1IL0-NAD_decoys.pdbqt
data/1I/1IL0-NAD/1IL0-NAD_decoy_scores.csv
1IYP-CEP
data/1I/1IYP-CEP/1IYP-CEP_ligand.pdbqt
data/1I/1IYP-CEP/1IYP-CEP_target.pdbqt
data/1I/1IYP-CEP/1IYP-CEP_decoys.pdbqt
data/1I/1IYP-CEP/1IYP-CEP_decoy_scores.csv
1IYE-PGU
data/1I/1IYE-PGU/1IYE-PGU_ligand.pdbqt
data/1I/1IYE-PGU/1IYE-PGU_target.pdbqt
data/1I/1IYE-PGU/1IYE-PGU_decoys.pdbqt
data/1I/1IYE-PGU/1IYE-PGU_decoy_scores.csv
1INI-CDM
data/1I/1INI-CDM/1INI-CDM_ligand.pdbqt
data/1I/1INI-CDM/1INI-CDM_target.pdbqt
data/1I/1INI-CDM/1INI-CDM_decoys.pdbqt
data/1I/1INI-CDM/1INI-CDM_decoy_scores.csv
1IN8-ADP
data/1I/1IN8-ADP/1IN8-ADP_ligand.pdbqt
data/1I/1IN8-ADP/1IN8-ADP_target.pdbqt
data/1I/1IN8-ADP/1IN8-ADP_decoys.pdbqt
data/1I/1IN8-ADP/1IN8-ADP_decoy_scores.csv
1IT7-GUN
data/1I/1IT7-GUN/1IT7-GUN_ligand.pdbqt
data/1I/1IT7-GUN/1IT7-GUN_target.pdbqt
data/1I/1IT7-GUN/1IT7-GUN_decoys.pdbqt
data/1I/1IT7-GUN/1IT7-GUN_decoy_scores.csv
1I9L-INV
data/1I/1I9L-INV/1I9L-INV_ligand.pdbqt
data/1I/1I9L-INV/1I9L-INV_target.pdbqt
data/1I/1I9L-INV/1I9L-INV_decoys.pdbqt
data/1I/1I9L-INV/1I9L-INV_decoy_scores.csv
1I80-9HX
data/1I/1I80-9HX/1I80-9HX_ligand.pdbqt
data/1I/1I80-9HX/1I80-9HX_target.pdbqt
data/1I/1I80-9HX/1I80-9HX_decoys.pdbqt
data/1I/1I80-9HX/1I80-9HX_decoy_scores.csv
4RRH-A3S
data/4R/4RRH-A3S/4RRH-A3S_ligand.pdbqt
data/4R/4RRH-A3S/4RRH-A3S_target.pdbqt
data/4R/4RRH-A3S/4RRH-A3S_decoys.pdbqt
data/4R/4RRH-A3S/4RRH-A3S_decoy_scores.csv
4RC5-PL3
data/4R/4RC5-PL3/4RC5-PL3_ligand.pdbqt
data/4R/4RC5-PL3/4RC5-PL3_target.pdbqt
data/4R/4RC5-PL3/4RC5-PL3_decoys.pdbqt
data/4R/4RC5-PL3/4RC5-PL3_decoy_scores.csv
4RFC-3O1
data/4R/4RFC-3O1/4RFC-3O1_ligand.pdbqt
data/4R/4RFC-3O1/4RFC-3O1_target.pdbqt
data/4R/4RFC-3O1/4RFC-3O1_decoys.pdbqt
data/4R/4RFC-3O1/4RFC-3O1_decoy_scores.csv
4RW5-PLM
data/4R/4RW5-PLM/4RW5-PLM_ligand.pdbqt
data/4R/4RW5-PLM/4RW5-PLM_target.pdbqt
data/4R/4RW5-PLM/4RW5-PLM_decoys.pdbqt
data/4R/4RW5-PLM/4RW5-PLM_decoy_scores.csv
4RX7-3YV
data/4R/4RX7-3YV/4RX7-3YV_ligand.pdbqt
data/4R/4RX7-3YV/4RX7-3YV_target.pdbqt
data/4R/4RX7-3YV/4RX7-3YV_decoys.pdbqt
data/4R/4RX7-3YV/4RX7-3YV_decoy_scores.csv
4R54-3JM
data/4R/4R54-3JM/4R54-3JM_ligand.pdbqt
data/4R/4R54-3JM/4R54-3JM_target.pdbqt
data/4R/4R54-3JM/4R54-3JM_decoys.pdbqt
data/4R/4R54-3JM/4R54-3JM_decoy_scores.csv