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 ⌀ |
|---|---|---|---|---|
1O9U-ADZ | data/1O/1O9U-ADZ/1O9U-ADZ_ligand.pdbqt | data/1O/1O9U-ADZ/1O9U-ADZ_target.pdbqt | data/1O/1O9U-ADZ/1O9U-ADZ_decoys.pdbqt | data/1O/1O9U-ADZ/1O9U-ADZ_decoy_scores.csv |
1O9S-SAH | data/1O/1O9S-SAH/1O9S-SAH_ligand.pdbqt | data/1O/1O9S-SAH/1O9S-SAH_target.pdbqt | data/1O/1O9S-SAH/1O9S-SAH_decoys.pdbqt | data/1O/1O9S-SAH/1O9S-SAH_decoy_scores.csv |
1OIW-GSP | data/1O/1OIW-GSP/1OIW-GSP_ligand.pdbqt | data/1O/1OIW-GSP/1OIW-GSP_target.pdbqt | data/1O/1OIW-GSP/1OIW-GSP_decoys.pdbqt | data/1O/1OIW-GSP/1OIW-GSP_decoy_scores.csv |
1O5F-CR9 | data/1O/1O5F-CR9/1O5F-CR9_ligand.pdbqt | data/1O/1O5F-CR9/1O5F-CR9_target.pdbqt | data/1O/1O5F-CR9/1O5F-CR9_decoys.pdbqt | data/1O/1O5F-CR9/1O5F-CR9_decoy_scores.csv |
1OTB-HC4 | data/1O/1OTB-HC4/1OTB-HC4_ligand.pdbqt | data/1O/1OTB-HC4/1OTB-HC4_target.pdbqt | data/1O/1OTB-HC4/1OTB-HC4_decoys.pdbqt | data/1O/1OTB-HC4/1OTB-HC4_decoy_scores.csv |
1O4Q-256 | data/1O/1O4Q-256/1O4Q-256_ligand.pdbqt | data/1O/1O4Q-256/1O4Q-256_target.pdbqt | data/1O/1O4Q-256/1O4Q-256_decoys.pdbqt | data/1O/1O4Q-256/1O4Q-256_decoy_scores.csv |
1OWZ-4FA | data/1O/1OWZ-4FA/1OWZ-4FA_ligand.pdbqt | data/1O/1OWZ-4FA/1OWZ-4FA_target.pdbqt | data/1O/1OWZ-4FA/1OWZ-4FA_decoys.pdbqt | data/1O/1OWZ-4FA/1OWZ-4FA_decoy_scores.csv |
1O1R-GRG | data/1O/1O1R-GRG/1O1R-GRG_ligand.pdbqt | data/1O/1O1R-GRG/1O1R-GRG_target.pdbqt | data/1O/1O1R-GRG/1O1R-GRG_decoys.pdbqt | data/1O/1O1R-GRG/1O1R-GRG_decoy_scores.csv |
1OC2-TDX | data/1O/1OC2-TDX/1OC2-TDX_ligand.pdbqt | data/1O/1OC2-TDX/1OC2-TDX_target.pdbqt | data/1O/1OC2-TDX/1OC2-TDX_decoys.pdbqt | data/1O/1OC2-TDX/1OC2-TDX_decoy_scores.csv |
1OPJ-STI | data/1O/1OPJ-STI/1OPJ-STI_ligand.pdbqt | data/1O/1OPJ-STI/1OPJ-STI_target.pdbqt | data/1O/1OPJ-STI/1OPJ-STI_decoys.pdbqt | data/1O/1OPJ-STI/1OPJ-STI_decoy_scores.csv |
1OM5-H4B | data/1O/1OM5-H4B/1OM5-H4B_ligand.pdbqt | data/1O/1OM5-H4B/1OM5-H4B_target.pdbqt | data/1O/1OM5-H4B/1OM5-H4B_decoys.pdbqt | data/1O/1OM5-H4B/1OM5-H4B_decoy_scores.csv |
1OUY-094 | data/1O/1OUY-094/1OUY-094_ligand.pdbqt | data/1O/1OUY-094/1OUY-094_target.pdbqt | data/1O/1OUY-094/1OUY-094_decoys.pdbqt | data/1O/1OUY-094/1OUY-094_decoy_scores.csv |
1ONP-FOM | data/1O/1ONP-FOM/1ONP-FOM_ligand.pdbqt | data/1O/1ONP-FOM/1ONP-FOM_target.pdbqt | data/1O/1ONP-FOM/1ONP-FOM_decoys.pdbqt | data/1O/1ONP-FOM/1ONP-FOM_decoy_scores.csv |
1O23-UPG | data/1O/1O23-UPG/1O23-UPG_ligand.pdbqt | data/1O/1O23-UPG/1O23-UPG_target.pdbqt | data/1O/1O23-UPG/1O23-UPG_decoys.pdbqt | data/1O/1O23-UPG/1O23-UPG_decoy_scores.csv |
1OIQ-HDU | data/1O/1OIQ-HDU/1OIQ-HDU_ligand.pdbqt | data/1O/1OIQ-HDU/1OIQ-HDU_target.pdbqt | data/1O/1OIQ-HDU/1OIQ-HDU_decoys.pdbqt | data/1O/1OIQ-HDU/1OIQ-HDU_decoy_scores.csv |
1OBV-FMN | data/1O/1OBV-FMN/1OBV-FMN_ligand.pdbqt | data/1O/1OBV-FMN/1OBV-FMN_target.pdbqt | data/1O/1OBV-FMN/1OBV-FMN_decoys.pdbqt | data/1O/1OBV-FMN/1OBV-FMN_decoy_scores.csv |
1O0O-A2P | data/1O/1O0O-A2P/1O0O-A2P_ligand.pdbqt | data/1O/1O0O-A2P/1O0O-A2P_target.pdbqt | data/1O/1O0O-A2P/1O0O-A2P_decoys.pdbqt | data/1O/1O0O-A2P/1O0O-A2P_decoy_scores.csv |
1OM4-H4B | data/1O/1OM4-H4B/1OM4-H4B_ligand.pdbqt | data/1O/1OM4-H4B/1OM4-H4B_target.pdbqt | data/1O/1OM4-H4B/1OM4-H4B_decoys.pdbqt | data/1O/1OM4-H4B/1OM4-H4B_decoy_scores.csv |
1O08-G16 | data/1O/1O08-G16/1O08-G16_ligand.pdbqt | data/1O/1O08-G16/1O08-G16_target.pdbqt | data/1O/1O08-G16/1O08-G16_decoys.pdbqt | data/1O/1O08-G16/1O08-G16_decoy_scores.csv |
1OTY-6MP | data/1O/1OTY-6MP/1OTY-6MP_ligand.pdbqt | data/1O/1OTY-6MP/1OTY-6MP_target.pdbqt | data/1O/1OTY-6MP/1OTY-6MP_decoys.pdbqt | data/1O/1OTY-6MP/1OTY-6MP_decoy_scores.csv |
1OBC-2AD | data/1O/1OBC-2AD/1OBC-2AD_ligand.pdbqt | data/1O/1OBC-2AD/1OBC-2AD_target.pdbqt | data/1O/1OBC-2AD/1OBC-2AD_decoys.pdbqt | data/1O/1OBC-2AD/1OBC-2AD_decoy_scores.csv |
1O34-801 | data/1O/1O34-801/1O34-801_ligand.pdbqt | data/1O/1O34-801/1O34-801_target.pdbqt | data/1O/1O34-801/1O34-801_decoys.pdbqt | data/1O/1O34-801/1O34-801_decoy_scores.csv |
1OKC-LDM | data/1O/1OKC-LDM/1OKC-LDM_ligand.pdbqt | data/1O/1OKC-LDM/1OKC-LDM_target.pdbqt | data/1O/1OKC-LDM/1OKC-LDM_decoys.pdbqt | data/1O/1OKC-LDM/1OKC-LDM_decoy_scores.csv |
1OWE-675 | data/1O/1OWE-675/1OWE-675_ligand.pdbqt | data/1O/1OWE-675/1OWE-675_target.pdbqt | data/1O/1OWE-675/1OWE-675_decoys.pdbqt | data/1O/1OWE-675/1OWE-675_decoy_scores.csv |
1O2W-847 | data/1O/1O2W-847/1O2W-847_ligand.pdbqt | data/1O/1O2W-847/1O2W-847_target.pdbqt | data/1O/1O2W-847/1O2W-847_decoys.pdbqt | data/1O/1O2W-847/1O2W-847_decoy_scores.csv |
1O5X-2PG | data/1O/1O5X-2PG/1O5X-2PG_ligand.pdbqt | data/1O/1O5X-2PG/1O5X-2PG_target.pdbqt | data/1O/1O5X-2PG/1O5X-2PG_decoys.pdbqt | data/1O/1O5X-2PG/1O5X-2PG_decoy_scores.csv |
1OFC-GLC | data/1O/1OFC-GLC/1OFC-GLC_ligand.pdbqt | data/1O/1OFC-GLC/1OFC-GLC_target.pdbqt | data/1O/1OFC-GLC/1OFC-GLC_decoys.pdbqt | data/1O/1OFC-GLC/1OFC-GLC_decoy_scores.csv |
1OIR-HDY | data/1O/1OIR-HDY/1OIR-HDY_ligand.pdbqt | data/1O/1OIR-HDY/1OIR-HDY_target.pdbqt | data/1O/1OIR-HDY/1OIR-HDY_decoys.pdbqt | data/1O/1OIR-HDY/1OIR-HDY_decoy_scores.csv |
1O38-653 | data/1O/1O38-653/1O38-653_ligand.pdbqt | data/1O/1O38-653/1O38-653_target.pdbqt | data/1O/1O38-653/1O38-653_decoys.pdbqt | data/1O/1O38-653/1O38-653_decoy_scores.csv |
1O5I-NAD | data/1O/1O5I-NAD/1O5I-NAD_ligand.pdbqt | data/1O/1O5I-NAD/1O5I-NAD_target.pdbqt | data/1O/1O5I-NAD/1O5I-NAD_decoys.pdbqt | data/1O/1O5I-NAD/1O5I-NAD_decoy_scores.csv |
1O3L-678 | data/1O/1O3L-678/1O3L-678_ligand.pdbqt | data/1O/1O3L-678/1O3L-678_target.pdbqt | data/1O/1O3L-678/1O3L-678_decoys.pdbqt | data/1O/1O3L-678/1O3L-678_decoy_scores.csv |
1O0N-U3P | data/1O/1O0N-U3P/1O0N-U3P_ligand.pdbqt | data/1O/1O0N-U3P/1O0N-U3P_target.pdbqt | data/1O/1O0N-U3P/1O0N-U3P_decoys.pdbqt | data/1O/1O0N-U3P/1O0N-U3P_decoy_scores.csv |
1OHP-ESR | data/1O/1OHP-ESR/1OHP-ESR_ligand.pdbqt | data/1O/1OHP-ESR/1OHP-ESR_target.pdbqt | data/1O/1OHP-ESR/1OHP-ESR_decoys.pdbqt | data/1O/1OHP-ESR/1OHP-ESR_decoy_scores.csv |
1ORR-CDP | data/1O/1ORR-CDP/1ORR-CDP_ligand.pdbqt | data/1O/1ORR-CDP/1ORR-CDP_target.pdbqt | data/1O/1ORR-CDP/1ORR-CDP_decoys.pdbqt | data/1O/1ORR-CDP/1ORR-CDP_decoy_scores.csv |
1OUK-084 | data/1O/1OUK-084/1OUK-084_ligand.pdbqt | data/1O/1OUK-084/1OUK-084_target.pdbqt | data/1O/1OUK-084/1OUK-084_decoys.pdbqt | data/1O/1OUK-084/1OUK-084_decoy_scores.csv |
1OTA-HC4 | data/1O/1OTA-HC4/1OTA-HC4_ligand.pdbqt | data/1O/1OTA-HC4/1OTA-HC4_target.pdbqt | data/1O/1OTA-HC4/1OTA-HC4_decoys.pdbqt | data/1O/1OTA-HC4/1OTA-HC4_decoy_scores.csv |
1OW4-2AN | data/1O/1OW4-2AN/1OW4-2AN_ligand.pdbqt | data/1O/1OW4-2AN/1OW4-2AN_target.pdbqt | data/1O/1OW4-2AN/1OW4-2AN_decoys.pdbqt | data/1O/1OW4-2AN/1OW4-2AN_decoy_scores.csv |
1OAU-DNF | data/1O/1OAU-DNF/1OAU-DNF_ligand.pdbqt | data/1O/1OAU-DNF/1OAU-DNF_target.pdbqt | data/1O/1OAU-DNF/1OAU-DNF_decoys.pdbqt | data/1O/1OAU-DNF/1OAU-DNF_decoy_scores.csv |
1ORK-ATC | data/1O/1ORK-ATC/1ORK-ATC_ligand.pdbqt | data/1O/1ORK-ATC/1ORK-ATC_target.pdbqt | data/1O/1ORK-ATC/1ORK-ATC_decoys.pdbqt | data/1O/1ORK-ATC/1ORK-ATC_decoy_scores.csv |
1O4B-876 | data/1O/1O4B-876/1O4B-876_ligand.pdbqt | data/1O/1O4B-876/1O4B-876_target.pdbqt | data/1O/1O4B-876/1O4B-876_decoys.pdbqt | data/1O/1O4B-876/1O4B-876_decoy_scores.csv |
2I1M-5CN | data/2I/2I1M-5CN/2I1M-5CN_ligand.pdbqt | data/2I/2I1M-5CN/2I1M-5CN_target.pdbqt | data/2I/2I1M-5CN/2I1M-5CN_decoys.pdbqt | data/2I/2I1M-5CN/2I1M-5CN_decoy_scores.csv |
2IZ1-P33 | data/2I/2IZ1-P33/2IZ1-P33_ligand.pdbqt | data/2I/2IZ1-P33/2IZ1-P33_target.pdbqt | data/2I/2IZ1-P33/2IZ1-P33_decoys.pdbqt | data/2I/2IZ1-P33/2IZ1-P33_decoy_scores.csv |
2IXF-ATP | data/2I/2IXF-ATP/2IXF-ATP_ligand.pdbqt | data/2I/2IXF-ATP/2IXF-ATP_target.pdbqt | data/2I/2IXF-ATP/2IXF-ATP_decoys.pdbqt | data/2I/2IXF-ATP/2IXF-ATP_decoy_scores.csv |
2I4H-UA1 | data/2I/2I4H-UA1/2I4H-UA1_ligand.pdbqt | data/2I/2I4H-UA1/2I4H-UA1_target.pdbqt | data/2I/2I4H-UA1/2I4H-UA1_decoys.pdbqt | data/2I/2I4H-UA1/2I4H-UA1_decoy_scores.csv |
2IM1-CTP | data/2I/2IM1-CTP/2IM1-CTP_ligand.pdbqt | data/2I/2IM1-CTP/2IM1-CTP_target.pdbqt | null | null |
2IMB-AHL | data/2I/2IMB-AHL/2IMB-AHL_ligand.pdbqt | data/2I/2IMB-AHL/2IMB-AHL_target.pdbqt | data/2I/2IMB-AHL/2IMB-AHL_decoys.pdbqt | data/2I/2IMB-AHL/2IMB-AHL_decoy_scores.csv |
2IVJ-BCV | data/2I/2IVJ-BCV/2IVJ-BCV_ligand.pdbqt | data/2I/2IVJ-BCV/2IVJ-BCV_target.pdbqt | data/2I/2IVJ-BCV/2IVJ-BCV_decoys.pdbqt | data/2I/2IVJ-BCV/2IVJ-BCV_decoy_scores.csv |
2I0B-GLU | data/2I/2I0B-GLU/2I0B-GLU_ligand.pdbqt | data/2I/2I0B-GLU/2I0B-GLU_target.pdbqt | data/2I/2I0B-GLU/2I0B-GLU_decoys.pdbqt | data/2I/2I0B-GLU/2I0B-GLU_decoy_scores.csv |
2IC5-BTB | data/2I/2IC5-BTB/2IC5-BTB_ligand.pdbqt | data/2I/2IC5-BTB/2IC5-BTB_target.pdbqt | data/2I/2IC5-BTB/2IC5-BTB_decoys.pdbqt | data/2I/2IC5-BTB/2IC5-BTB_decoy_scores.csv |
2I0D-MUT | data/2I/2I0D-MUT/2I0D-MUT_ligand.pdbqt | data/2I/2I0D-MUT/2I0D-MUT_target.pdbqt | data/2I/2I0D-MUT/2I0D-MUT_decoys.pdbqt | data/2I/2I0D-MUT/2I0D-MUT_decoy_scores.csv |
2I47-INN | data/2I/2I47-INN/2I47-INN_ligand.pdbqt | data/2I/2I47-INN/2I47-INN_target.pdbqt | data/2I/2I47-INN/2I47-INN_decoys.pdbqt | data/2I/2I47-INN/2I47-INN_decoy_scores.csv |
2ITV-ANP | data/2I/2ITV-ANP/2ITV-ANP_ligand.pdbqt | data/2I/2ITV-ANP/2ITV-ANP_target.pdbqt | data/2I/2ITV-ANP/2ITV-ANP_decoys.pdbqt | data/2I/2ITV-ANP/2ITV-ANP_decoy_scores.csv |
2II6-C5P | data/2I/2II6-C5P/2II6-C5P_ligand.pdbqt | data/2I/2II6-C5P/2II6-C5P_target.pdbqt | data/2I/2II6-C5P/2II6-C5P_decoys.pdbqt | data/2I/2II6-C5P/2II6-C5P_decoy_scores.csv |
2ILZ-GTP | data/2I/2ILZ-GTP/2ILZ-GTP_ligand.pdbqt | data/2I/2ILZ-GTP/2ILZ-GTP_target.pdbqt | null | null |
2IL1-GDP | data/2I/2IL1-GDP/2IL1-GDP_ligand.pdbqt | data/2I/2IL1-GDP/2IL1-GDP_target.pdbqt | data/2I/2IL1-GDP/2IL1-GDP_decoys.pdbqt | data/2I/2IL1-GDP/2IL1-GDP_decoy_scores.csv |
2IMP-NAI | data/2I/2IMP-NAI/2IMP-NAI_ligand.pdbqt | data/2I/2IMP-NAI/2IMP-NAI_target.pdbqt | data/2I/2IMP-NAI/2IMP-NAI_decoys.pdbqt | data/2I/2IMP-NAI/2IMP-NAI_decoy_scores.csv |
2I6B-89I | data/2I/2I6B-89I/2I6B-89I_ligand.pdbqt | data/2I/2I6B-89I/2I6B-89I_target.pdbqt | data/2I/2I6B-89I/2I6B-89I_decoys.pdbqt | data/2I/2I6B-89I/2I6B-89I_decoy_scores.csv |
2I0A-MUI | data/2I/2I0A-MUI/2I0A-MUI_ligand.pdbqt | data/2I/2I0A-MUI/2I0A-MUI_target.pdbqt | data/2I/2I0A-MUI/2I0A-MUI_decoys.pdbqt | data/2I/2I0A-MUI/2I0A-MUI_decoy_scores.csv |
2IVD-TWN | data/2I/2IVD-TWN/2IVD-TWN_ligand.pdbqt | data/2I/2IVD-TWN/2IVD-TWN_target.pdbqt | data/2I/2IVD-TWN/2IVD-TWN_decoys.pdbqt | data/2I/2IVD-TWN/2IVD-TWN_decoy_scores.csv |
2IGO-SHG | data/2I/2IGO-SHG/2IGO-SHG_ligand.pdbqt | data/2I/2IGO-SHG/2IGO-SHG_target.pdbqt | data/2I/2IGO-SHG/2IGO-SHG_decoys.pdbqt | data/2I/2IGO-SHG/2IGO-SHG_decoy_scores.csv |
2IZT-23D | data/2I/2IZT-23D/2IZT-23D_ligand.pdbqt | data/2I/2IZT-23D/2IZT-23D_target.pdbqt | data/2I/2IZT-23D/2IZT-23D_decoys.pdbqt | data/2I/2IZT-23D/2IZT-23D_decoy_scores.csv |
2I20-RET | data/2I/2I20-RET/2I20-RET_ligand.pdbqt | data/2I/2I20-RET/2I20-RET_target.pdbqt | data/2I/2I20-RET/2I20-RET_decoys.pdbqt | data/2I/2I20-RET/2I20-RET_decoy_scores.csv |
2IXC-TRH | data/2I/2IXC-TRH/2IXC-TRH_ligand.pdbqt | data/2I/2IXC-TRH/2IXC-TRH_target.pdbqt | data/2I/2IXC-TRH/2IXC-TRH_decoys.pdbqt | data/2I/2IXC-TRH/2IXC-TRH_decoy_scores.csv |
2I56-RNS | data/2I/2I56-RNS/2I56-RNS_ligand.pdbqt | data/2I/2I56-RNS/2I56-RNS_target.pdbqt | data/2I/2I56-RNS/2I56-RNS_decoys.pdbqt | data/2I/2I56-RNS/2I56-RNS_decoy_scores.csv |
2ICK-DMA | data/2I/2ICK-DMA/2ICK-DMA_ligand.pdbqt | data/2I/2ICK-DMA/2ICK-DMA_target.pdbqt | data/2I/2ICK-DMA/2ICK-DMA_decoys.pdbqt | data/2I/2ICK-DMA/2ICK-DMA_decoy_scores.csv |
2ILP-GB5 | data/2I/2ILP-GB5/2ILP-GB5_ligand.pdbqt | data/2I/2ILP-GB5/2ILP-GB5_target.pdbqt | data/2I/2ILP-GB5/2ILP-GB5_decoys.pdbqt | data/2I/2ILP-GB5/2ILP-GB5_decoy_scores.csv |
2I5N-HTO | data/2I/2I5N-HTO/2I5N-HTO_ligand.pdbqt | data/2I/2I5N-HTO/2I5N-HTO_target.pdbqt | data/2I/2I5N-HTO/2I5N-HTO_decoys.pdbqt | data/2I/2I5N-HTO/2I5N-HTO_decoy_scores.csv |
2IJ7-TPF | data/2I/2IJ7-TPF/2IJ7-TPF_ligand.pdbqt | data/2I/2IJ7-TPF/2IJ7-TPF_target.pdbqt | data/2I/2IJ7-TPF/2IJ7-TPF_decoys.pdbqt | data/2I/2IJ7-TPF/2IJ7-TPF_decoy_scores.csv |
2IDO-TMP | data/2I/2IDO-TMP/2IDO-TMP_ligand.pdbqt | data/2I/2IDO-TMP/2IDO-TMP_target.pdbqt | data/2I/2IDO-TMP/2IDO-TMP_decoys.pdbqt | data/2I/2IDO-TMP/2IDO-TMP_decoy_scores.csv |
2IQG-F2I | data/2I/2IQG-F2I/2IQG-F2I_ligand.pdbqt | data/2I/2IQG-F2I/2IQG-F2I_target.pdbqt | data/2I/2IQG-F2I/2IQG-F2I_decoys.pdbqt | data/2I/2IQG-F2I/2IQG-F2I_decoy_scores.csv |
2I9U-GUN | data/2I/2I9U-GUN/2I9U-GUN_ligand.pdbqt | data/2I/2I9U-GUN/2I9U-GUN_target.pdbqt | data/2I/2I9U-GUN/2I9U-GUN_decoys.pdbqt | data/2I/2I9U-GUN/2I9U-GUN_decoy_scores.csv |
2IHU-TP9 | data/2I/2IHU-TP9/2IHU-TP9_ligand.pdbqt | data/2I/2IHU-TP9/2IHU-TP9_target.pdbqt | data/2I/2IHU-TP9/2IHU-TP9_decoys.pdbqt | data/2I/2IHU-TP9/2IHU-TP9_decoy_scores.csv |
2IHU-TP8 | data/2I/2IHU-TP8/2IHU-TP8_ligand.pdbqt | data/2I/2IHU-TP8/2IHU-TP8_target.pdbqt | data/2I/2IHU-TP8/2IHU-TP8_decoys.pdbqt | data/2I/2IHU-TP8/2IHU-TP8_decoy_scores.csv |
2I19-1BY | data/2I/2I19-1BY/2I19-1BY_ligand.pdbqt | data/2I/2I19-1BY/2I19-1BY_target.pdbqt | data/2I/2I19-1BY/2I19-1BY_decoys.pdbqt | data/2I/2I19-1BY/2I19-1BY_decoy_scores.csv |
2IMA-GB4 | data/2I/2IMA-GB4/2IMA-GB4_ligand.pdbqt | data/2I/2IMA-GB4/2IMA-GB4_target.pdbqt | data/2I/2IMA-GB4/2IMA-GB4_decoys.pdbqt | data/2I/2IMA-GB4/2IMA-GB4_decoy_scores.csv |
2IKG-BTO | data/2I/2IKG-BTO/2IKG-BTO_ligand.pdbqt | data/2I/2IKG-BTO/2IKG-BTO_target.pdbqt | data/2I/2IKG-BTO/2IKG-BTO_decoys.pdbqt | data/2I/2IKG-BTO/2IKG-BTO_decoy_scores.csv |
2I80-G1L | data/2I/2I80-G1L/2I80-G1L_ligand.pdbqt | data/2I/2I80-G1L/2I80-G1L_target.pdbqt | data/2I/2I80-G1L/2I80-G1L_decoys.pdbqt | data/2I/2I80-G1L/2I80-G1L_decoy_scores.csv |
2IZG-BTN | data/2I/2IZG-BTN/2IZG-BTN_ligand.pdbqt | data/2I/2IZG-BTN/2IZG-BTN_target.pdbqt | data/2I/2IZG-BTN/2IZG-BTN_decoys.pdbqt | data/2I/2IZG-BTN/2IZG-BTN_decoy_scores.csv |
2IGQ-SAH | data/2I/2IGQ-SAH/2IGQ-SAH_ligand.pdbqt | data/2I/2IGQ-SAH/2IGQ-SAH_target.pdbqt | data/2I/2IGQ-SAH/2IGQ-SAH_decoys.pdbqt | data/2I/2IGQ-SAH/2IGQ-SAH_decoy_scores.csv |
2I4Z-DRH | data/2I/2I4Z-DRH/2I4Z-DRH_ligand.pdbqt | data/2I/2I4Z-DRH/2I4Z-DRH_target.pdbqt | data/2I/2I4Z-DRH/2I4Z-DRH_decoys.pdbqt | data/2I/2I4Z-DRH/2I4Z-DRH_decoy_scores.csv |
2ITM-XUL | data/2I/2ITM-XUL/2ITM-XUL_ligand.pdbqt | data/2I/2ITM-XUL/2ITM-XUL_target.pdbqt | data/2I/2ITM-XUL/2ITM-XUL_decoys.pdbqt | data/2I/2ITM-XUL/2ITM-XUL_decoy_scores.csv |
2IHJ-CSF | data/2I/2IHJ-CSF/2IHJ-CSF_ligand.pdbqt | data/2I/2IHJ-CSF/2IHJ-CSF_target.pdbqt | data/2I/2IHJ-CSF/2IHJ-CSF_decoys.pdbqt | data/2I/2IHJ-CSF/2IHJ-CSF_decoy_scores.csv |
2IWD-1S6 | data/2I/2IWD-1S6/2IWD-1S6_ligand.pdbqt | data/2I/2IWD-1S6/2IWD-1S6_target.pdbqt | data/2I/2IWD-1S6/2IWD-1S6_decoys.pdbqt | data/2I/2IWD-1S6/2IWD-1S6_decoy_scores.csv |
2I4G-UA1 | data/2I/2I4G-UA1/2I4G-UA1_ligand.pdbqt | data/2I/2I4G-UA1/2I4G-UA1_target.pdbqt | data/2I/2I4G-UA1/2I4G-UA1_decoys.pdbqt | data/2I/2I4G-UA1/2I4G-UA1_decoy_scores.csv |
2I0G-I0G | data/2I/2I0G-I0G/2I0G-I0G_ligand.pdbqt | data/2I/2I0G-I0G/2I0G-I0G_target.pdbqt | data/2I/2I0G-I0G/2I0G-I0G_decoys.pdbqt | data/2I/2I0G-I0G/2I0G-I0G_decoy_scores.csv |
2IPW-2CL | data/2I/2IPW-2CL/2IPW-2CL_ligand.pdbqt | data/2I/2IPW-2CL/2IPW-2CL_target.pdbqt | data/2I/2IPW-2CL/2IPW-2CL_decoys.pdbqt | data/2I/2IPW-2CL/2IPW-2CL_decoy_scores.csv |
2IME-TOH | data/2I/2IME-TOH/2IME-TOH_ligand.pdbqt | data/2I/2IME-TOH/2IME-TOH_target.pdbqt | data/2I/2IME-TOH/2IME-TOH_decoys.pdbqt | data/2I/2IME-TOH/2IME-TOH_decoy_scores.csv |
2IAJ-ATP | data/2I/2IAJ-ATP/2IAJ-ATP_ligand.pdbqt | data/2I/2IAJ-ATP/2IAJ-ATP_target.pdbqt | data/2I/2IAJ-ATP/2IAJ-ATP_decoys.pdbqt | data/2I/2IAJ-ATP/2IAJ-ATP_decoy_scores.csv |
2I5C-IP5 | data/2I/2I5C-IP5/2I5C-IP5_ligand.pdbqt | data/2I/2I5C-IP5/2I5C-IP5_target.pdbqt | data/2I/2I5C-IP5/2I5C-IP5_decoys.pdbqt | data/2I/2I5C-IP5/2I5C-IP5_decoy_scores.csv |
2I4Q-UA4 | data/2I/2I4Q-UA4/2I4Q-UA4_ligand.pdbqt | data/2I/2I4Q-UA4/2I4Q-UA4_target.pdbqt | data/2I/2I4Q-UA4/2I4Q-UA4_decoys.pdbqt | data/2I/2I4Q-UA4/2I4Q-UA4_decoy_scores.csv |
2I1V-ADP | data/2I/2I1V-ADP/2I1V-ADP_ligand.pdbqt | data/2I/2I1V-ADP/2I1V-ADP_target.pdbqt | data/2I/2I1V-ADP/2I1V-ADP_decoys.pdbqt | data/2I/2I1V-ADP/2I1V-ADP_decoy_scores.csv |
2I2C-DTA | data/2I/2I2C-DTA/2I2C-DTA_ligand.pdbqt | data/2I/2I2C-DTA/2I2C-DTA_target.pdbqt | data/2I/2I2C-DTA/2I2C-DTA_decoys.pdbqt | data/2I/2I2C-DTA/2I2C-DTA_decoy_scores.csv |
2I1X-LI1 | data/2I/2I1X-LI1/2I1X-LI1_ligand.pdbqt | data/2I/2I1X-LI1/2I1X-LI1_target.pdbqt | data/2I/2I1X-LI1/2I1X-LI1_decoys.pdbqt | data/2I/2I1X-LI1/2I1X-LI1_decoy_scores.csv |
2IRZ-I02 | data/2I/2IRZ-I02/2IRZ-I02_ligand.pdbqt | data/2I/2IRZ-I02/2IRZ-I02_target.pdbqt | data/2I/2IRZ-I02/2IRZ-I02_decoys.pdbqt | data/2I/2IRZ-I02/2IRZ-I02_decoy_scores.csv |
2IM0-CTP | data/2I/2IM0-CTP/2IM0-CTP_ligand.pdbqt | data/2I/2IM0-CTP/2IM0-CTP_target.pdbqt | null | null |
2IYQ-ADP | data/2I/2IYQ-ADP/2IYQ-ADP_ligand.pdbqt | data/2I/2IYQ-ADP/2IYQ-ADP_target.pdbqt | data/2I/2IYQ-ADP/2IYQ-ADP_decoys.pdbqt | data/2I/2IYQ-ADP/2IYQ-ADP_decoy_scores.csv |
2IDV-M7G | data/2I/2IDV-M7G/2IDV-M7G_ligand.pdbqt | data/2I/2IDV-M7G/2IDV-M7G_target.pdbqt | data/2I/2IDV-M7G/2IDV-M7G_decoys.pdbqt | data/2I/2IDV-M7G/2IDV-M7G_decoy_scores.csv |
2IA4-GLU | data/2I/2IA4-GLU/2IA4-GLU_ligand.pdbqt | data/2I/2IA4-GLU/2IA4-GLU_target.pdbqt | data/2I/2IA4-GLU/2IA4-GLU_decoys.pdbqt | data/2I/2IA4-GLU/2IA4-GLU_decoy_scores.csv |
2I7C-AAT | data/2I/2I7C-AAT/2I7C-AAT_ligand.pdbqt | data/2I/2I7C-AAT/2I7C-AAT_target.pdbqt | data/2I/2I7C-AAT/2I7C-AAT_decoys.pdbqt | data/2I/2I7C-AAT/2I7C-AAT_decoy_scores.csv |
2ICS-ADE | data/2I/2ICS-ADE/2ICS-ADE_ligand.pdbqt | data/2I/2ICS-ADE/2ICS-ADE_target.pdbqt | data/2I/2ICS-ADE/2ICS-ADE_decoys.pdbqt | data/2I/2ICS-ADE/2ICS-ADE_decoy_scores.csv |
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