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 ⌀ |
|---|---|---|---|---|
1X09-IPE | data/1X/1X09-IPE/1X09-IPE_ligand.pdbqt | data/1X/1X09-IPE/1X09-IPE_target.pdbqt | data/1X/1X09-IPE/1X09-IPE_decoys.pdbqt | data/1X/1X09-IPE/1X09-IPE_decoy_scores.csv |
1XR2-C2F | data/1X/1XR2-C2F/1XR2-C2F_ligand.pdbqt | data/1X/1XR2-C2F/1XR2-C2F_target.pdbqt | data/1X/1XR2-C2F/1XR2-C2F_decoys.pdbqt | data/1X/1XR2-C2F/1XR2-C2F_decoy_scores.csv |
1XTB-S6P | data/1X/1XTB-S6P/1XTB-S6P_ligand.pdbqt | data/1X/1XTB-S6P/1XTB-S6P_target.pdbqt | data/1X/1XTB-S6P/1XTB-S6P_decoys.pdbqt | data/1X/1XTB-S6P/1XTB-S6P_decoy_scores.csv |
1XPZ-4TZ | data/1X/1XPZ-4TZ/1XPZ-4TZ_ligand.pdbqt | data/1X/1XPZ-4TZ/1XPZ-4TZ_target.pdbqt | data/1X/1XPZ-4TZ/1XPZ-4TZ_decoys.pdbqt | data/1X/1XPZ-4TZ/1XPZ-4TZ_decoy_scores.csv |
1XLR-VNL | data/1X/1XLR-VNL/1XLR-VNL_ligand.pdbqt | data/1X/1XLR-VNL/1XLR-VNL_target.pdbqt | data/1X/1XLR-VNL/1XLR-VNL_decoys.pdbqt | data/1X/1XLR-VNL/1XLR-VNL_decoy_scores.csv |
1XP0-VDN | data/1X/1XP0-VDN/1XP0-VDN_ligand.pdbqt | data/1X/1XP0-VDN/1XP0-VDN_target.pdbqt | data/1X/1XP0-VDN/1XP0-VDN_decoys.pdbqt | data/1X/1XP0-VDN/1XP0-VDN_decoy_scores.csv |
1XM6-5RM | data/1X/1XM6-5RM/1XM6-5RM_ligand.pdbqt | data/1X/1XM6-5RM/1XM6-5RM_target.pdbqt | data/1X/1XM6-5RM/1XM6-5RM_decoys.pdbqt | data/1X/1XM6-5RM/1XM6-5RM_decoy_scores.csv |
1XQC-AEJ | data/1X/1XQC-AEJ/1XQC-AEJ_ligand.pdbqt | data/1X/1XQC-AEJ/1XQC-AEJ_target.pdbqt | data/1X/1XQC-AEJ/1XQC-AEJ_decoys.pdbqt | data/1X/1XQC-AEJ/1XQC-AEJ_decoy_scores.csv |
1XTQ-GDP | data/1X/1XTQ-GDP/1XTQ-GDP_ligand.pdbqt | data/1X/1XTQ-GDP/1XTQ-GDP_target.pdbqt | data/1X/1XTQ-GDP/1XTQ-GDP_decoys.pdbqt | data/1X/1XTQ-GDP/1XTQ-GDP_decoy_scores.csv |
1XI2-CB1 | data/1X/1XI2-CB1/1XI2-CB1_ligand.pdbqt | data/1X/1XI2-CB1/1XI2-CB1_target.pdbqt | data/1X/1XI2-CB1/1XI2-CB1_decoys.pdbqt | data/1X/1XI2-CB1/1XI2-CB1_decoy_scores.csv |
1XKB-4PP | data/1X/1XKB-4PP/1XKB-4PP_ligand.pdbqt | data/1X/1XKB-4PP/1XKB-4PP_target.pdbqt | data/1X/1XKB-4PP/1XKB-4PP_decoys.pdbqt | data/1X/1XKB-4PP/1XKB-4PP_decoy_scores.csv |
1XA4-BTB | data/1X/1XA4-BTB/1XA4-BTB_ligand.pdbqt | data/1X/1XA4-BTB/1XA4-BTB_target.pdbqt | data/1X/1XA4-BTB/1XA4-BTB_decoys.pdbqt | data/1X/1XA4-BTB/1XA4-BTB_decoy_scores.csv |
1XSK-XYF | data/1X/1XSK-XYF/1XSK-XYF_ligand.pdbqt | data/1X/1XSK-XYF/1XSK-XYF_target.pdbqt | data/1X/1XSK-XYF/1XSK-XYF_decoys.pdbqt | data/1X/1XSK-XYF/1XSK-XYF_decoy_scores.csv |
1XIV-RB2 | data/1X/1XIV-RB2/1XIV-RB2_ligand.pdbqt | data/1X/1XIV-RB2/1XIV-RB2_target.pdbqt | data/1X/1XIV-RB2/1XIV-RB2_decoys.pdbqt | data/1X/1XIV-RB2/1XIV-RB2_decoy_scores.csv |
1X0I-L2P | data/1X/1X0I-L2P/1X0I-L2P_ligand.pdbqt | data/1X/1X0I-L2P/1X0I-L2P_target.pdbqt | data/1X/1X0I-L2P/1X0I-L2P_decoys.pdbqt | data/1X/1X0I-L2P/1X0I-L2P_decoy_scores.csv |
1XIC-XLS | data/1X/1XIC-XLS/1XIC-XLS_ligand.pdbqt | data/1X/1XIC-XLS/1XIC-XLS_target.pdbqt | data/1X/1XIC-XLS/1XIC-XLS_decoys.pdbqt | data/1X/1XIC-XLS/1XIC-XLS_decoy_scores.csv |
1XM4-PIL | data/1X/1XM4-PIL/1XM4-PIL_ligand.pdbqt | data/1X/1XM4-PIL/1XM4-PIL_target.pdbqt | data/1X/1XM4-PIL/1XM4-PIL_decoys.pdbqt | data/1X/1XM4-PIL/1XM4-PIL_decoy_scores.csv |
1XZM-DPE | data/1X/1XZM-DPE/1XZM-DPE_ligand.pdbqt | data/1X/1XZM-DPE/1XZM-DPE_target.pdbqt | data/1X/1XZM-DPE/1XZM-DPE_decoys.pdbqt | data/1X/1XZM-DPE/1XZM-DPE_decoy_scores.csv |
1XH4-R69 | data/1X/1XH4-R69/1XH4-R69_ligand.pdbqt | data/1X/1XH4-R69/1XH4-R69_target.pdbqt | data/1X/1XH4-R69/1XH4-R69_decoys.pdbqt | data/1X/1XH4-R69/1XH4-R69_decoy_scores.csv |
1XBZ-LX1 | data/1X/1XBZ-LX1/1XBZ-LX1_ligand.pdbqt | data/1X/1XBZ-LX1/1XBZ-LX1_target.pdbqt | data/1X/1XBZ-LX1/1XBZ-LX1_decoys.pdbqt | data/1X/1XBZ-LX1/1XBZ-LX1_decoy_scores.csv |
1XAJ-NAD | data/1X/1XAJ-NAD/1XAJ-NAD_ligand.pdbqt | data/1X/1XAJ-NAD/1XAJ-NAD_target.pdbqt | data/1X/1XAJ-NAD/1XAJ-NAD_decoys.pdbqt | data/1X/1XAJ-NAD/1XAJ-NAD_decoy_scores.csv |
1X76-697 | data/1X/1X76-697/1X76-697_ligand.pdbqt | data/1X/1X76-697/1X76-697_target.pdbqt | data/1X/1X76-697/1X76-697_decoys.pdbqt | data/1X/1X76-697/1X76-697_decoy_scores.csv |
1XOZ-CIA | data/1X/1XOZ-CIA/1XOZ-CIA_ligand.pdbqt | data/1X/1XOZ-CIA/1XOZ-CIA_target.pdbqt | data/1X/1XOZ-CIA/1XOZ-CIA_decoys.pdbqt | data/1X/1XOZ-CIA/1XOZ-CIA_decoy_scores.csv |
1X88-NAT | data/1X/1X88-NAT/1X88-NAT_ligand.pdbqt | data/1X/1X88-NAT/1X88-NAT_target.pdbqt | data/1X/1X88-NAT/1X88-NAT_decoys.pdbqt | data/1X/1X88-NAT/1X88-NAT_decoy_scores.csv |
1X8L-OXR | data/1X/1X8L-OXR/1X8L-OXR_ligand.pdbqt | data/1X/1X8L-OXR/1X8L-OXR_target.pdbqt | data/1X/1X8L-OXR/1X8L-OXR_decoys.pdbqt | data/1X/1X8L-OXR/1X8L-OXR_decoy_scores.csv |
1XQK-PMH | data/1X/1XQK-PMH/1XQK-PMH_ligand.pdbqt | data/1X/1XQK-PMH/1XQK-PMH_target.pdbqt | data/1X/1XQK-PMH/1XQK-PMH_decoys.pdbqt | data/1X/1XQK-PMH/1XQK-PMH_decoy_scores.csv |
1XUH-BAO | data/1X/1XUH-BAO/1XUH-BAO_ligand.pdbqt | data/1X/1XUH-BAO/1XUH-BAO_target.pdbqt | data/1X/1XUH-BAO/1XUH-BAO_decoys.pdbqt | data/1X/1XUH-BAO/1XUH-BAO_decoy_scores.csv |
1XJI-D12 | data/1X/1XJI-D12/1XJI-D12_ligand.pdbqt | data/1X/1XJI-D12/1XJI-D12_target.pdbqt | data/1X/1XJI-D12/1XJI-D12_decoys.pdbqt | data/1X/1XJI-D12/1XJI-D12_decoy_scores.csv |
1XOW-R18 | data/1X/1XOW-R18/1XOW-R18_ligand.pdbqt | data/1X/1XOW-R18/1XOW-R18_target.pdbqt | data/1X/1XOW-R18/1XOW-R18_decoys.pdbqt | data/1X/1XOW-R18/1XOW-R18_decoy_scores.csv |
1XGJ-HTC | data/1X/1XGJ-HTC/1XGJ-HTC_ligand.pdbqt | data/1X/1XGJ-HTC/1XGJ-HTC_target.pdbqt | data/1X/1XGJ-HTC/1XGJ-HTC_decoys.pdbqt | data/1X/1XGJ-HTC/1XGJ-HTC_decoy_scores.csv |
1XPY-NLQ | data/1X/1XPY-NLQ/1XPY-NLQ_ligand.pdbqt | data/1X/1XPY-NLQ/1XPY-NLQ_target.pdbqt | data/1X/1XPY-NLQ/1XPY-NLQ_decoys.pdbqt | data/1X/1XPY-NLQ/1XPY-NLQ_decoy_scores.csv |
1X8B-824 | data/1X/1X8B-824/1X8B-824_ligand.pdbqt | data/1X/1X8B-824/1X8B-824_target.pdbqt | data/1X/1X8B-824/1X8B-824_decoys.pdbqt | data/1X/1X8B-824/1X8B-824_decoy_scores.csv |
1X87-NAD | data/1X/1X87-NAD/1X87-NAD_ligand.pdbqt | data/1X/1X87-NAD/1X87-NAD_target.pdbqt | data/1X/1X87-NAD/1X87-NAD_decoys.pdbqt | data/1X/1X87-NAD/1X87-NAD_decoy_scores.csv |
1X83-SBH | data/1X/1X83-SBH/1X83-SBH_ligand.pdbqt | data/1X/1X83-SBH/1X83-SBH_target.pdbqt | data/1X/1X83-SBH/1X83-SBH_decoys.pdbqt | data/1X/1X83-SBH/1X83-SBH_decoy_scores.csv |
1X28-PGU | data/1X/1X28-PGU/1X28-PGU_ligand.pdbqt | data/1X/1X28-PGU/1X28-PGU_target.pdbqt | data/1X/1X28-PGU/1X28-PGU_decoys.pdbqt | data/1X/1X28-PGU/1X28-PGU_decoy_scores.csv |
1X06-FPS | data/1X/1X06-FPS/1X06-FPS_ligand.pdbqt | data/1X/1X06-FPS/1X06-FPS_target.pdbqt | data/1X/1X06-FPS/1X06-FPS_decoys.pdbqt | data/1X/1X06-FPS/1X06-FPS_decoy_scores.csv |
1XVA-SAM | data/1X/1XVA-SAM/1XVA-SAM_ligand.pdbqt | data/1X/1XVA-SAM/1XVA-SAM_target.pdbqt | data/1X/1XVA-SAM/1XVA-SAM_decoys.pdbqt | data/1X/1XVA-SAM/1XVA-SAM_decoy_scores.csv |
1XUA-HHA | data/1X/1XUA-HHA/1XUA-HHA_ligand.pdbqt | data/1X/1XUA-HHA/1XUA-HHA_target.pdbqt | data/1X/1XUA-HHA/1XUA-HHA_decoys.pdbqt | data/1X/1XUA-HHA/1XUA-HHA_decoy_scores.csv |
1XH5-R68 | data/1X/1XH5-R68/1XH5-R68_ligand.pdbqt | data/1X/1XH5-R68/1XH5-R68_target.pdbqt | data/1X/1XH5-R68/1XH5-R68_decoys.pdbqt | data/1X/1XH5-R68/1XH5-R68_decoy_scores.csv |
1XAG-CRB | data/1X/1XAG-CRB/1XAG-CRB_ligand.pdbqt | data/1X/1XAG-CRB/1XAG-CRB_target.pdbqt | data/1X/1XAG-CRB/1XAG-CRB_decoys.pdbqt | data/1X/1XAG-CRB/1XAG-CRB_decoy_scores.csv |
1XCJ-SAH | data/1X/1XCJ-SAH/1XCJ-SAH_ligand.pdbqt | data/1X/1XCJ-SAH/1XCJ-SAH_target.pdbqt | data/1X/1XCJ-SAH/1XCJ-SAH_decoys.pdbqt | data/1X/1XCJ-SAH/1XCJ-SAH_decoy_scores.csv |
1XON-B3P | data/1X/1XON-B3P/1XON-B3P_ligand.pdbqt | data/1X/1XON-B3P/1XON-B3P_target.pdbqt | data/1X/1XON-B3P/1XON-B3P_decoys.pdbqt | data/1X/1XON-B3P/1XON-B3P_decoy_scores.csv |
1XLZ-FIL | data/1X/1XLZ-FIL/1XLZ-FIL_ligand.pdbqt | data/1X/1XLZ-FIL/1XLZ-FIL_target.pdbqt | data/1X/1XLZ-FIL/1XLZ-FIL_decoys.pdbqt | data/1X/1XLZ-FIL/1XLZ-FIL_decoy_scores.csv |
1XQA-P6G | data/1X/1XQA-P6G/1XQA-P6G_ligand.pdbqt | data/1X/1XQA-P6G/1XQA-P6G_target.pdbqt | data/1X/1XQA-P6G/1XQA-P6G_decoys.pdbqt | data/1X/1XQA-P6G/1XQA-P6G_decoy_scores.csv |
1XLI-GLT | data/1X/1XLI-GLT/1XLI-GLT_ligand.pdbqt | data/1X/1XLI-GLT/1XLI-GLT_target.pdbqt | data/1X/1XLI-GLT/1XLI-GLT_decoys.pdbqt | data/1X/1XLI-GLT/1XLI-GLT_decoy_scores.csv |
1XH6-R94 | data/1X/1XH6-R94/1XH6-R94_ligand.pdbqt | data/1X/1XH6-R94/1XH6-R94_target.pdbqt | data/1X/1XH6-R94/1XH6-R94_decoys.pdbqt | data/1X/1XH6-R94/1XH6-R94_decoy_scores.csv |
1XBX-5RP | data/1X/1XBX-5RP/1XBX-5RP_ligand.pdbqt | data/1X/1XBX-5RP/1XBX-5RP_target.pdbqt | data/1X/1XBX-5RP/1XBX-5RP_decoys.pdbqt | data/1X/1XBX-5RP/1XBX-5RP_decoy_scores.csv |
1XKW-LDA | data/1X/1XKW-LDA/1XKW-LDA_ligand.pdbqt | data/1X/1XKW-LDA/1XKW-LDA_target.pdbqt | data/1X/1XKW-LDA/1XKW-LDA_decoys.pdbqt | data/1X/1XKW-LDA/1XKW-LDA_decoy_scores.csv |
1XU4-ANP | data/1X/1XU4-ANP/1XU4-ANP_ligand.pdbqt | data/1X/1XU4-ANP/1XU4-ANP_target.pdbqt | data/1X/1XU4-ANP/1XU4-ANP_decoys.pdbqt | data/1X/1XU4-ANP/1XU4-ANP_decoy_scores.csv |
1XEL-NAD | data/1X/1XEL-NAD/1XEL-NAD_ligand.pdbqt | data/1X/1XEL-NAD/1XEL-NAD_target.pdbqt | data/1X/1XEL-NAD/1XEL-NAD_decoys.pdbqt | data/1X/1XEL-NAD/1XEL-NAD_decoy_scores.csv |
1XLD-XYL | data/1X/1XLD-XYL/1XLD-XYL_ligand.pdbqt | data/1X/1XLD-XYL/1XLD-XYL_target.pdbqt | data/1X/1XLD-XYL/1XLD-XYL_decoys.pdbqt | data/1X/1XLD-XYL/1XLD-XYL_decoy_scores.csv |
1X88-ADP | data/1X/1X88-ADP/1X88-ADP_ligand.pdbqt | data/1X/1X88-ADP/1X88-ADP_target.pdbqt | data/1X/1X88-ADP/1X88-ADP_decoys.pdbqt | data/1X/1X88-ADP/1X88-ADP_decoy_scores.csv |
1XJG-UDP | data/1X/1XJG-UDP/1XJG-UDP_ligand.pdbqt | data/1X/1XJG-UDP/1XJG-UDP_target.pdbqt | data/1X/1XJG-UDP/1XJG-UDP_decoys.pdbqt | data/1X/1XJG-UDP/1XJG-UDP_decoy_scores.csv |
1XOR-ZAR | data/1X/1XOR-ZAR/1XOR-ZAR_ligand.pdbqt | data/1X/1XOR-ZAR/1XOR-ZAR_target.pdbqt | data/1X/1XOR-ZAR/1XOR-ZAR_decoys.pdbqt | data/1X/1XOR-ZAR/1XOR-ZAR_decoy_scores.csv |
1XYM-GLO | data/1X/1XYM-GLO/1XYM-GLO_ligand.pdbqt | data/1X/1XYM-GLO/1XYM-GLO_target.pdbqt | data/1X/1XYM-GLO/1XYM-GLO_decoys.pdbqt | data/1X/1XYM-GLO/1XYM-GLO_decoy_scores.csv |
1XWS-BI1 | data/1X/1XWS-BI1/1XWS-BI1_ligand.pdbqt | data/1X/1XWS-BI1/1XWS-BI1_target.pdbqt | data/1X/1XWS-BI1/1XWS-BI1_decoys.pdbqt | data/1X/1XWS-BI1/1XWS-BI1_decoy_scores.csv |
1XHA-R68 | data/1X/1XHA-R68/1XHA-R68_ligand.pdbqt | data/1X/1XHA-R68/1XHA-R68_target.pdbqt | data/1X/1XHA-R68/1XHA-R68_decoys.pdbqt | data/1X/1XHA-R68/1XHA-R68_decoy_scores.csv |
1XAI-CRB | data/1X/1XAI-CRB/1XAI-CRB_ligand.pdbqt | data/1X/1XAI-CRB/1XAI-CRB_target.pdbqt | data/1X/1XAI-CRB/1XAI-CRB_decoys.pdbqt | data/1X/1XAI-CRB/1XAI-CRB_decoy_scores.csv |
1XKZ-CAZ | data/1X/1XKZ-CAZ/1XKZ-CAZ_ligand.pdbqt | data/1X/1XKZ-CAZ/1XKZ-CAZ_target.pdbqt | data/1X/1XKZ-CAZ/1XKZ-CAZ_decoys.pdbqt | data/1X/1XKZ-CAZ/1XKZ-CAZ_decoy_scores.csv |
1XFF-GLU | data/1X/1XFF-GLU/1XFF-GLU_ligand.pdbqt | data/1X/1XFF-GLU/1XFF-GLU_target.pdbqt | data/1X/1XFF-GLU/1XFF-GLU_decoys.pdbqt | data/1X/1XFF-GLU/1XFF-GLU_decoy_scores.csv |
1XS6-DUT | data/1X/1XS6-DUT/1XS6-DUT_ligand.pdbqt | data/1X/1XS6-DUT/1XS6-DUT_target.pdbqt | data/1X/1XS6-DUT/1XS6-DUT_decoys.pdbqt | data/1X/1XS6-DUT/1XS6-DUT_decoy_scores.csv |
1X8J-A3P | data/1X/1X8J-A3P/1X8J-A3P_ligand.pdbqt | data/1X/1X8J-A3P/1X8J-A3P_target.pdbqt | data/1X/1X8J-A3P/1X8J-A3P_decoys.pdbqt | data/1X/1X8J-A3P/1X8J-A3P_decoy_scores.csv |
1XK9-P34 | data/1X/1XK9-P34/1XK9-P34_ligand.pdbqt | data/1X/1XK9-P34/1XK9-P34_target.pdbqt | data/1X/1XK9-P34/1XK9-P34_decoys.pdbqt | data/1X/1XK9-P34/1XK9-P34_decoy_scores.csv |
1XNN-HYQ | data/1X/1XNN-HYQ/1XNN-HYQ_ligand.pdbqt | data/1X/1XNN-HYQ/1XNN-HYQ_target.pdbqt | data/1X/1XNN-HYQ/1XNN-HYQ_decoys.pdbqt | data/1X/1XNN-HYQ/1XNN-HYQ_decoy_scores.csv |
1X8X-TYR | data/1X/1X8X-TYR/1X8X-TYR_ligand.pdbqt | data/1X/1X8X-TYR/1X8X-TYR_target.pdbqt | data/1X/1X8X-TYR/1X8X-TYR_decoys.pdbqt | data/1X/1X8X-TYR/1X8X-TYR_decoy_scores.csv |
1XRY-BES | data/1X/1XRY-BES/1XRY-BES_ligand.pdbqt | data/1X/1XRY-BES/1XRY-BES_target.pdbqt | data/1X/1XRY-BES/1XRY-BES_decoys.pdbqt | data/1X/1XRY-BES/1XRY-BES_decoy_scores.csv |
1XWV-XPE | data/1X/1XWV-XPE/1XWV-XPE_ligand.pdbqt | data/1X/1XWV-XPE/1XWV-XPE_target.pdbqt | data/1X/1XWV-XPE/1XWV-XPE_decoys.pdbqt | data/1X/1XWV-XPE/1XWV-XPE_decoy_scores.csv |
1XEX-ATP | data/1X/1XEX-ATP/1XEX-ATP_ligand.pdbqt | data/1X/1XEX-ATP/1XEX-ATP_target.pdbqt | data/1X/1XEX-ATP/1XEX-ATP_decoys.pdbqt | data/1X/1XEX-ATP/1XEX-ATP_decoy_scores.csv |
1XJE-GDP | data/1X/1XJE-GDP/1XJE-GDP_ligand.pdbqt | data/1X/1XJE-GDP/1XJE-GDP_target.pdbqt | data/1X/1XJE-GDP/1XJE-GDP_decoys.pdbqt | data/1X/1XJE-GDP/1XJE-GDP_decoy_scores.csv |
1XUC-PB3 | data/1X/1XUC-PB3/1XUC-PB3_ligand.pdbqt | data/1X/1XUC-PB3/1XUC-PB3_target.pdbqt | data/1X/1XUC-PB3/1XUC-PB3_decoys.pdbqt | data/1X/1XUC-PB3/1XUC-PB3_decoy_scores.csv |
1XAH-NAD | data/1X/1XAH-NAD/1XAH-NAD_ligand.pdbqt | data/1X/1XAH-NAD/1XAH-NAD_target.pdbqt | data/1X/1XAH-NAD/1XAH-NAD_decoys.pdbqt | data/1X/1XAH-NAD/1XAH-NAD_decoy_scores.csv |
1XUZ-MMN | data/1X/1XUZ-MMN/1XUZ-MMN_ligand.pdbqt | data/1X/1XUZ-MMN/1XUZ-MMN_target.pdbqt | data/1X/1XUZ-MMN/1XUZ-MMN_decoys.pdbqt | data/1X/1XUZ-MMN/1XUZ-MMN_decoy_scores.csv |
1XNZ-FCD | data/1X/1XNZ-FCD/1XNZ-FCD_ligand.pdbqt | data/1X/1XNZ-FCD/1XNZ-FCD_target.pdbqt | data/1X/1XNZ-FCD/1XNZ-FCD_decoys.pdbqt | data/1X/1XNZ-FCD/1XNZ-FCD_decoy_scores.csv |
1X7J-GEN | data/1X/1X7J-GEN/1X7J-GEN_ligand.pdbqt | data/1X/1X7J-GEN/1X7J-GEN_target.pdbqt | data/1X/1X7J-GEN/1X7J-GEN_decoys.pdbqt | data/1X/1X7J-GEN/1X7J-GEN_decoy_scores.csv |
1XKV-ATP | data/1X/1XKV-ATP/1XKV-ATP_ligand.pdbqt | data/1X/1XKV-ATP/1XKV-ATP_target.pdbqt | data/1X/1XKV-ATP/1XKV-ATP_decoys.pdbqt | data/1X/1XKV-ATP/1XKV-ATP_decoy_scores.csv |
1XQ0-4TR | data/1X/1XQ0-4TR/1XQ0-4TR_ligand.pdbqt | data/1X/1XQ0-4TR/1XQ0-4TR_target.pdbqt | data/1X/1XQ0-4TR/1XQ0-4TR_decoys.pdbqt | data/1X/1XQ0-4TR/1XQ0-4TR_decoy_scores.csv |
1XCM-GNP | data/1X/1XCM-GNP/1XCM-GNP_ligand.pdbqt | data/1X/1XCM-GNP/1XCM-GNP_target.pdbqt | data/1X/1XCM-GNP/1XCM-GNP_decoys.pdbqt | data/1X/1XCM-GNP/1XCM-GNP_decoy_scores.csv |
1XR1-ANP | data/1X/1XR1-ANP/1XR1-ANP_ligand.pdbqt | data/1X/1XR1-ANP/1XR1-ANP_target.pdbqt | data/1X/1XR1-ANP/1XR1-ANP_decoys.pdbqt | data/1X/1XR1-ANP/1XR1-ANP_decoy_scores.csv |
1XMS-ANP | data/1X/1XMS-ANP/1XMS-ANP_ligand.pdbqt | data/1X/1XMS-ANP/1XMS-ANP_target.pdbqt | data/1X/1XMS-ANP/1XMS-ANP_decoys.pdbqt | data/1X/1XMS-ANP/1XMS-ANP_decoy_scores.csv |
1XXA-ARG | data/1X/1XXA-ARG/1XXA-ARG_ligand.pdbqt | data/1X/1XXA-ARG/1XXA-ARG_target.pdbqt | null | null |
1XJN-DTP | data/1X/1XJN-DTP/1XJN-DTP_ligand.pdbqt | data/1X/1XJN-DTP/1XJN-DTP_target.pdbqt | data/1X/1XJN-DTP/1XJN-DTP_decoys.pdbqt | data/1X/1XJN-DTP/1XJN-DTP_decoy_scores.csv |
1XNG-ATP | data/1X/1XNG-ATP/1XNG-ATP_ligand.pdbqt | data/1X/1XNG-ATP/1XNG-ATP_target.pdbqt | data/1X/1XNG-ATP/1XNG-ATP_decoys.pdbqt | data/1X/1XNG-ATP/1XNG-ATP_decoy_scores.csv |
1XYB-GLO | data/1X/1XYB-GLO/1XYB-GLO_ligand.pdbqt | data/1X/1XYB-GLO/1XYB-GLO_target.pdbqt | data/1X/1XYB-GLO/1XYB-GLO_decoys.pdbqt | data/1X/1XYB-GLO/1XYB-GLO_decoy_scores.csv |
1XNG-DND | data/1X/1XNG-DND/1XNG-DND_ligand.pdbqt | data/1X/1XNG-DND/1XNG-DND_target.pdbqt | data/1X/1XNG-DND/1XNG-DND_decoys.pdbqt | data/1X/1XNG-DND/1XNG-DND_decoy_scores.csv |
1XET-3IO | data/1X/1XET-3IO/1XET-3IO_ligand.pdbqt | data/1X/1XET-3IO/1XET-3IO_target.pdbqt | data/1X/1XET-3IO/1XET-3IO_decoys.pdbqt | data/1X/1XET-3IO/1XET-3IO_decoy_scores.csv |
1XV5-UDP | data/1X/1XV5-UDP/1XV5-UDP_ligand.pdbqt | data/1X/1XV5-UDP/1XV5-UDP_target.pdbqt | data/1X/1XV5-UDP/1XV5-UDP_decoys.pdbqt | data/1X/1XV5-UDP/1XV5-UDP_decoy_scores.csv |
1XP9-AIJ | data/1X/1XP9-AIJ/1XP9-AIJ_ligand.pdbqt | data/1X/1XP9-AIJ/1XP9-AIJ_target.pdbqt | data/1X/1XP9-AIJ/1XP9-AIJ_decoys.pdbqt | data/1X/1XP9-AIJ/1XP9-AIJ_decoy_scores.csv |
1XTT-U5P | data/1X/1XTT-U5P/1XTT-U5P_ligand.pdbqt | data/1X/1XTT-U5P/1XTT-U5P_target.pdbqt | data/1X/1XTT-U5P/1XTT-U5P_decoys.pdbqt | data/1X/1XTT-U5P/1XTT-U5P_decoy_scores.csv |
1X9H-F6R | data/1X/1X9H-F6R/1X9H-F6R_ligand.pdbqt | data/1X/1X9H-F6R/1X9H-F6R_target.pdbqt | data/1X/1X9H-F6R/1X9H-F6R_decoys.pdbqt | data/1X/1X9H-F6R/1X9H-F6R_decoy_scores.csv |
1XJI-RET | data/1X/1XJI-RET/1XJI-RET_ligand.pdbqt | data/1X/1XJI-RET/1XJI-RET_target.pdbqt | data/1X/1XJI-RET/1XJI-RET_decoys.pdbqt | data/1X/1XJI-RET/1XJI-RET_decoy_scores.csv |
1XBY-5RP | data/1X/1XBY-5RP/1XBY-5RP_ligand.pdbqt | data/1X/1XBY-5RP/1XBY-5RP_target.pdbqt | data/1X/1XBY-5RP/1XBY-5RP_decoys.pdbqt | data/1X/1XBY-5RP/1XBY-5RP_decoy_scores.csv |
1X14-NAD | data/1X/1X14-NAD/1X14-NAD_ligand.pdbqt | data/1X/1X14-NAD/1X14-NAD_target.pdbqt | data/1X/1X14-NAD/1X14-NAD_decoys.pdbqt | data/1X/1X14-NAD/1X14-NAD_decoy_scores.csv |
1X8J-AOI | data/1X/1X8J-AOI/1X8J-AOI_ligand.pdbqt | data/1X/1X8J-AOI/1X8J-AOI_target.pdbqt | data/1X/1X8J-AOI/1X8J-AOI_decoys.pdbqt | data/1X/1X8J-AOI/1X8J-AOI_decoy_scores.csv |
1XLC-XYL | data/1X/1XLC-XYL/1XLC-XYL_ligand.pdbqt | data/1X/1XLC-XYL/1XLC-XYL_target.pdbqt | data/1X/1XLC-XYL/1XLC-XYL_decoys.pdbqt | data/1X/1XLC-XYL/1XLC-XYL_decoy_scores.csv |
1XDS-SAM | data/1X/1XDS-SAM/1XDS-SAM_ligand.pdbqt | data/1X/1XDS-SAM/1XDS-SAM_target.pdbqt | data/1X/1XDS-SAM/1XDS-SAM_decoys.pdbqt | data/1X/1XDS-SAM/1XDS-SAM_decoy_scores.csv |
1X82-PA5 | data/1X/1X82-PA5/1X82-PA5_ligand.pdbqt | data/1X/1X82-PA5/1X82-PA5_target.pdbqt | data/1X/1X82-PA5/1X82-PA5_decoys.pdbqt | data/1X/1X82-PA5/1X82-PA5_decoy_scores.csv |
1XUK-BAB | data/1X/1XUK-BAB/1XUK-BAB_ligand.pdbqt | data/1X/1XUK-BAB/1XUK-BAB_target.pdbqt | data/1X/1XUK-BAB/1XUK-BAB_decoys.pdbqt | data/1X/1XUK-BAB/1XUK-BAB_decoy_scores.csv |
1XWK-GDN | data/1X/1XWK-GDN/1XWK-GDN_ligand.pdbqt | data/1X/1XWK-GDN/1XWK-GDN_target.pdbqt | data/1X/1XWK-GDN/1XWK-GDN_decoys.pdbqt | data/1X/1XWK-GDN/1XWK-GDN_decoy_scores.csv |
1XZ3-ICF | data/1X/1XZ3-ICF/1XZ3-ICF_ligand.pdbqt | data/1X/1XZ3-ICF/1XZ3-ICF_target.pdbqt | data/1X/1XZ3-ICF/1XZ3-ICF_decoys.pdbqt | data/1X/1XZ3-ICF/1XZ3-ICF_decoy_scores.csv |
1XKA-4PP | data/1X/1XKA-4PP/1XKA-4PP_ligand.pdbqt | data/1X/1XKA-4PP/1XKA-4PP_target.pdbqt | data/1X/1XKA-4PP/1XKA-4PP_decoys.pdbqt | data/1X/1XKA-4PP/1XKA-4PP_decoy_scores.csv |
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