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 ⌀ |
|---|---|---|---|---|
1X8R-SC1 | data/1X/1X8R-SC1/1X8R-SC1_ligand.pdbqt | data/1X/1X8R-SC1/1X8R-SC1_target.pdbqt | data/1X/1X8R-SC1/1X8R-SC1_decoys.pdbqt | data/1X/1X8R-SC1/1X8R-SC1_decoy_scores.csv |
1X1T-NAD | data/1X/1X1T-NAD/1X1T-NAD_ligand.pdbqt | data/1X/1X1T-NAD/1X1T-NAD_target.pdbqt | data/1X/1X1T-NAD/1X1T-NAD_decoys.pdbqt | data/1X/1X1T-NAD/1X1T-NAD_decoy_scores.csv |
1XZK-DFP | data/1X/1XZK-DFP/1XZK-DFP_ligand.pdbqt | data/1X/1XZK-DFP/1XZK-DFP_target.pdbqt | data/1X/1XZK-DFP/1XZK-DFP_decoys.pdbqt | data/1X/1XZK-DFP/1XZK-DFP_decoy_scores.csv |
1X7B-041 | data/1X/1X7B-041/1X7B-041_ligand.pdbqt | data/1X/1X7B-041/1X7B-041_target.pdbqt | data/1X/1X7B-041/1X7B-041_decoys.pdbqt | data/1X/1X7B-041/1X7B-041_decoy_scores.csv |
1XQL-PMP | data/1X/1XQL-PMP/1XQL-PMP_ligand.pdbqt | data/1X/1XQL-PMP/1XQL-PMP_target.pdbqt | data/1X/1XQL-PMP/1XQL-PMP_decoys.pdbqt | data/1X/1XQL-PMP/1XQL-PMP_decoy_scores.csv |
1X55-NSS | data/1X/1X55-NSS/1X55-NSS_ligand.pdbqt | data/1X/1X55-NSS/1X55-NSS_target.pdbqt | data/1X/1X55-NSS/1X55-NSS_decoys.pdbqt | data/1X/1X55-NSS/1X55-NSS_decoy_scores.csv |
1X1I-46M | data/1X/1X1I-46M/1X1I-46M_ligand.pdbqt | data/1X/1X1I-46M/1X1I-46M_target.pdbqt | data/1X/1X1I-46M/1X1I-46M_decoys.pdbqt | data/1X/1X1I-46M/1X1I-46M_decoy_scores.csv |
1XE7-GUN | data/1X/1XE7-GUN/1XE7-GUN_ligand.pdbqt | data/1X/1XE7-GUN/1XE7-GUN_target.pdbqt | data/1X/1XE7-GUN/1XE7-GUN_decoys.pdbqt | data/1X/1XE7-GUN/1XE7-GUN_decoy_scores.csv |
1XUG-BAB | data/1X/1XUG-BAB/1XUG-BAB_ligand.pdbqt | data/1X/1XUG-BAB/1XUG-BAB_target.pdbqt | data/1X/1XUG-BAB/1XUG-BAB_decoys.pdbqt | data/1X/1XUG-BAB/1XUG-BAB_decoy_scores.csv |
1XDN-ATP | data/1X/1XDN-ATP/1XDN-ATP_ligand.pdbqt | data/1X/1XDN-ATP/1XDN-ATP_target.pdbqt | data/1X/1XDN-ATP/1XDN-ATP_decoys.pdbqt | data/1X/1XDN-ATP/1XDN-ATP_decoy_scores.csv |
1XYY-FMN | data/1X/1XYY-FMN/1XYY-FMN_ligand.pdbqt | data/1X/1XYY-FMN/1XYY-FMN_target.pdbqt | data/1X/1XYY-FMN/1XYY-FMN_decoys.pdbqt | data/1X/1XYY-FMN/1XYY-FMN_decoy_scores.csv |
1XL1-TH1 | data/1X/1XL1-TH1/1XL1-TH1_ligand.pdbqt | data/1X/1XL1-TH1/1XL1-TH1_target.pdbqt | data/1X/1XL1-TH1/1XL1-TH1_decoys.pdbqt | data/1X/1XL1-TH1/1XL1-TH1_decoy_scores.csv |
1X08-IPE | data/1X/1X08-IPE/1X08-IPE_ligand.pdbqt | data/1X/1X08-IPE/1X08-IPE_target.pdbqt | data/1X/1X08-IPE/1X08-IPE_decoys.pdbqt | data/1X/1X08-IPE/1X08-IPE_decoy_scores.csv |
1XMM-M7G | data/1X/1XMM-M7G/1XMM-M7G_ligand.pdbqt | data/1X/1XMM-M7G/1XMM-M7G_target.pdbqt | data/1X/1XMM-M7G/1XMM-M7G_decoys.pdbqt | data/1X/1XMM-M7G/1XMM-M7G_decoy_scores.csv |
1X98-FIS | data/1X/1X98-FIS/1X98-FIS_ligand.pdbqt | data/1X/1X98-FIS/1X98-FIS_target.pdbqt | data/1X/1X98-FIS/1X98-FIS_decoys.pdbqt | data/1X/1X98-FIS/1X98-FIS_decoy_scores.csv |
1XF6-PEB | data/1X/1XF6-PEB/1XF6-PEB_ligand.pdbqt | data/1X/1XF6-PEB/1XF6-PEB_target.pdbqt | data/1X/1XF6-PEB/1XF6-PEB_decoys.pdbqt | data/1X/1XF6-PEB/1XF6-PEB_decoy_scores.csv |
1XA3-BTB | data/1X/1XA3-BTB/1XA3-BTB_ligand.pdbqt | data/1X/1XA3-BTB/1XA3-BTB_target.pdbqt | data/1X/1XA3-BTB/1XA3-BTB_decoys.pdbqt | data/1X/1XA3-BTB/1XA3-BTB_decoy_scores.csv |
1XIF-GLC | data/1X/1XIF-GLC/1XIF-GLC_ligand.pdbqt | data/1X/1XIF-GLC/1XIF-GLC_target.pdbqt | data/1X/1XIF-GLC/1XIF-GLC_decoys.pdbqt | data/1X/1XIF-GLC/1XIF-GLC_decoy_scores.csv |
1XOV-GLU | data/1X/1XOV-GLU/1XOV-GLU_ligand.pdbqt | data/1X/1XOV-GLU/1XOV-GLU_target.pdbqt | data/1X/1XOV-GLU/1XOV-GLU_decoys.pdbqt | data/1X/1XOV-GLU/1XOV-GLU_decoy_scores.csv |
1XSK-MPO | data/1X/1XSK-MPO/1XSK-MPO_ligand.pdbqt | data/1X/1XSK-MPO/1XSK-MPO_target.pdbqt | data/1X/1XSK-MPO/1XSK-MPO_decoys.pdbqt | data/1X/1XSK-MPO/1XSK-MPO_decoy_scores.csv |
1X92-M7P | data/1X/1X92-M7P/1X92-M7P_ligand.pdbqt | data/1X/1X92-M7P/1X92-M7P_target.pdbqt | data/1X/1X92-M7P/1X92-M7P_decoys.pdbqt | data/1X/1X92-M7P/1X92-M7P_decoy_scores.csv |
1XUZ-PEP | data/1X/1XUZ-PEP/1XUZ-PEP_ligand.pdbqt | data/1X/1XUZ-PEP/1XUZ-PEP_target.pdbqt | data/1X/1XUZ-PEP/1XUZ-PEP_decoys.pdbqt | data/1X/1XUZ-PEP/1XUZ-PEP_decoy_scores.csv |
1X1J-46D | data/1X/1X1J-46D/1X1J-46D_ligand.pdbqt | data/1X/1X1J-46D/1X1J-46D_target.pdbqt | data/1X/1X1J-46D/1X1J-46D_decoys.pdbqt | data/1X/1X1J-46D/1X1J-46D_decoy_scores.csv |
1XJI-C14 | data/1X/1XJI-C14/1XJI-C14_ligand.pdbqt | data/1X/1XJI-C14/1XJI-C14_target.pdbqt | data/1X/1XJI-C14/1XJI-C14_decoys.pdbqt | data/1X/1XJI-C14/1XJI-C14_decoy_scores.csv |
1XIO-RET | data/1X/1XIO-RET/1XIO-RET_ligand.pdbqt | data/1X/1XIO-RET/1XIO-RET_target.pdbqt | data/1X/1XIO-RET/1XIO-RET_decoys.pdbqt | data/1X/1XIO-RET/1XIO-RET_decoy_scores.csv |
1XH7-R96 | data/1X/1XH7-R96/1XH7-R96_ligand.pdbqt | data/1X/1XH7-R96/1XH7-R96_target.pdbqt | data/1X/1XH7-R96/1XH7-R96_decoys.pdbqt | data/1X/1XH7-R96/1XH7-R96_decoy_scores.csv |
1XX6-ADP | data/1X/1XX6-ADP/1XX6-ADP_ligand.pdbqt | data/1X/1XX6-ADP/1XX6-ADP_target.pdbqt | data/1X/1XX6-ADP/1XX6-ADP_decoys.pdbqt | data/1X/1XX6-ADP/1XX6-ADP_decoy_scores.csv |
1XJJ-DGT | data/1X/1XJJ-DGT/1XJJ-DGT_ligand.pdbqt | data/1X/1XJJ-DGT/1XJJ-DGT_target.pdbqt | data/1X/1XJJ-DGT/1XJJ-DGT_decoys.pdbqt | data/1X/1XJJ-DGT/1XJJ-DGT_decoy_scores.csv |
1XF0-ASD | data/1X/1XF0-ASD/1XF0-ASD_ligand.pdbqt | data/1X/1XF0-ASD/1XF0-ASD_target.pdbqt | data/1X/1XF0-ASD/1XF0-ASD_decoys.pdbqt | data/1X/1XF0-ASD/1XF0-ASD_decoy_scores.csv |
1XAJ-CRB | data/1X/1XAJ-CRB/1XAJ-CRB_ligand.pdbqt | data/1X/1XAJ-CRB/1XAJ-CRB_target.pdbqt | data/1X/1XAJ-CRB/1XAJ-CRB_decoys.pdbqt | data/1X/1XAJ-CRB/1XAJ-CRB_decoy_scores.csv |
1XL8-OCB | data/1X/1XL8-OCB/1XL8-OCB_ligand.pdbqt | data/1X/1XL8-OCB/1XL8-OCB_target.pdbqt | data/1X/1XL8-OCB/1XL8-OCB_decoys.pdbqt | data/1X/1XL8-OCB/1XL8-OCB_decoy_scores.csv |
1XEF-ATP | data/1X/1XEF-ATP/1XEF-ATP_ligand.pdbqt | data/1X/1XEF-ATP/1XEF-ATP_target.pdbqt | data/1X/1XEF-ATP/1XEF-ATP_decoys.pdbqt | data/1X/1XEF-ATP/1XEF-ATP_decoy_scores.csv |
1XKL-STH | data/1X/1XKL-STH/1XKL-STH_ligand.pdbqt | data/1X/1XKL-STH/1XKL-STH_target.pdbqt | data/1X/1XKL-STH/1XKL-STH_decoys.pdbqt | data/1X/1XKL-STH/1XKL-STH_decoy_scores.csv |
1XLJ-XYL | data/1X/1XLJ-XYL/1XLJ-XYL_ligand.pdbqt | data/1X/1XLJ-XYL/1XLJ-XYL_target.pdbqt | data/1X/1XLJ-XYL/1XLJ-XYL_decoys.pdbqt | data/1X/1XLJ-XYL/1XLJ-XYL_decoy_scores.csv |
1XJE-TTP | data/1X/1XJE-TTP/1XJE-TTP_ligand.pdbqt | data/1X/1XJE-TTP/1XJE-TTP_target.pdbqt | data/1X/1XJE-TTP/1XJE-TTP_decoys.pdbqt | data/1X/1XJE-TTP/1XJE-TTP_decoy_scores.csv |
1XGI-NST | data/1X/1XGI-NST/1XGI-NST_ligand.pdbqt | data/1X/1XGI-NST/1XGI-NST_target.pdbqt | data/1X/1XGI-NST/1XGI-NST_decoys.pdbqt | data/1X/1XGI-NST/1XGI-NST_decoy_scores.csv |
1XCL-SAH | data/1X/1XCL-SAH/1XCL-SAH_ligand.pdbqt | data/1X/1XCL-SAH/1XCL-SAH_target.pdbqt | data/1X/1XCL-SAH/1XCL-SAH_decoys.pdbqt | data/1X/1XCL-SAH/1XCL-SAH_decoy_scores.csv |
1X7N-PA5 | data/1X/1X7N-PA5/1X7N-PA5_ligand.pdbqt | data/1X/1X7N-PA5/1X7N-PA5_target.pdbqt | data/1X/1X7N-PA5/1X7N-PA5_decoys.pdbqt | data/1X/1X7N-PA5/1X7N-PA5_decoy_scores.csv |
1X15-NAD | data/1X/1X15-NAD/1X15-NAD_ligand.pdbqt | data/1X/1X15-NAD/1X15-NAD_target.pdbqt | data/1X/1X15-NAD/1X15-NAD_decoys.pdbqt | data/1X/1X15-NAD/1X15-NAD_decoy_scores.csv |
1XAP-TTB | data/1X/1XAP-TTB/1XAP-TTB_ligand.pdbqt | data/1X/1XAP-TTB/1XAP-TTB_target.pdbqt | data/1X/1XAP-TTB/1XAP-TTB_decoys.pdbqt | data/1X/1XAP-TTB/1XAP-TTB_decoy_scores.csv |
1XGE-NCD | data/1X/1XGE-NCD/1XGE-NCD_ligand.pdbqt | data/1X/1XGE-NCD/1XGE-NCD_target.pdbqt | data/1X/1XGE-NCD/1XGE-NCD_decoys.pdbqt | data/1X/1XGE-NCD/1XGE-NCD_decoy_scores.csv |
1X3M-ADP | data/1X/1X3M-ADP/1X3M-ADP_ligand.pdbqt | data/1X/1X3M-ADP/1X3M-ADP_target.pdbqt | data/1X/1X3M-ADP/1X3M-ADP_decoys.pdbqt | data/1X/1X3M-ADP/1X3M-ADP_decoy_scores.csv |
1XKK-FMM | data/1X/1XKK-FMM/1XKK-FMM_ligand.pdbqt | data/1X/1XKK-FMM/1XKK-FMM_target.pdbqt | data/1X/1XKK-FMM/1XKK-FMM_decoys.pdbqt | data/1X/1XKK-FMM/1XKK-FMM_decoy_scores.csv |
1XIE-ASO | data/1X/1XIE-ASO/1XIE-ASO_ligand.pdbqt | data/1X/1XIE-ASO/1XIE-ASO_target.pdbqt | data/1X/1XIE-ASO/1XIE-ASO_decoys.pdbqt | data/1X/1XIE-ASO/1XIE-ASO_decoy_scores.csv |
1XJI-CPS | data/1X/1XJI-CPS/1XJI-CPS_ligand.pdbqt | data/1X/1XJI-CPS/1XJI-CPS_target.pdbqt | data/1X/1XJI-CPS/1XJI-CPS_decoys.pdbqt | data/1X/1XJI-CPS/1XJI-CPS_decoy_scores.csv |
1XJ0-GDP | data/1X/1XJ0-GDP/1XJ0-GDP_ligand.pdbqt | data/1X/1XJ0-GDP/1XJ0-GDP_target.pdbqt | data/1X/1XJ0-GDP/1XJ0-GDP_decoys.pdbqt | data/1X/1XJ0-GDP/1XJ0-GDP_decoy_scores.csv |
1XIN-XYL | data/1X/1XIN-XYL/1XIN-XYL_ligand.pdbqt | data/1X/1XIN-XYL/1XIN-XYL_target.pdbqt | data/1X/1XIN-XYL/1XIN-XYL_decoys.pdbqt | data/1X/1XIN-XYL/1XIN-XYL_decoy_scores.csv |
1X7R-GEN | data/1X/1X7R-GEN/1X7R-GEN_ligand.pdbqt | data/1X/1X7R-GEN/1X7R-GEN_target.pdbqt | data/1X/1X7R-GEN/1X7R-GEN_decoys.pdbqt | data/1X/1X7R-GEN/1X7R-GEN_decoy_scores.csv |
1X29-PMG | data/1X/1X29-PMG/1X29-PMG_ligand.pdbqt | data/1X/1X29-PMG/1X29-PMG_target.pdbqt | data/1X/1X29-PMG/1X29-PMG_decoys.pdbqt | data/1X/1X29-PMG/1X29-PMG_decoy_scores.csv |
1XUO-LA1 | data/1X/1XUO-LA1/1XUO-LA1_ligand.pdbqt | data/1X/1XUO-LA1/1XUO-LA1_target.pdbqt | data/1X/1XUO-LA1/1XUO-LA1_decoys.pdbqt | data/1X/1XUO-LA1/1XUO-LA1_decoy_scores.csv |
1XF6-DBV | data/1X/1XF6-DBV/1XF6-DBV_ligand.pdbqt | data/1X/1XF6-DBV/1XF6-DBV_target.pdbqt | data/1X/1XF6-DBV/1XF6-DBV_decoys.pdbqt | data/1X/1XF6-DBV/1XF6-DBV_decoy_scores.csv |
1X78-244 | data/1X/1X78-244/1X78-244_ligand.pdbqt | data/1X/1X78-244/1X78-244_target.pdbqt | data/1X/1X78-244/1X78-244_decoys.pdbqt | data/1X/1X78-244/1X78-244_decoy_scores.csv |
1XDY-MTE | data/1X/1XDY-MTE/1XDY-MTE_ligand.pdbqt | data/1X/1XDY-MTE/1XDY-MTE_target.pdbqt | data/1X/1XDY-MTE/1XDY-MTE_decoys.pdbqt | data/1X/1XDY-MTE/1XDY-MTE_decoy_scores.csv |
1XT4-GUN | data/1X/1XT4-GUN/1XT4-GUN_ligand.pdbqt | data/1X/1XT4-GUN/1XT4-GUN_target.pdbqt | data/1X/1XT4-GUN/1XT4-GUN_decoys.pdbqt | data/1X/1XT4-GUN/1XT4-GUN_decoy_scores.csv |
1X8D-RNS | data/1X/1X8D-RNS/1X8D-RNS_ligand.pdbqt | data/1X/1X8D-RNS/1X8D-RNS_target.pdbqt | data/1X/1X8D-RNS/1X8D-RNS_decoys.pdbqt | data/1X/1X8D-RNS/1X8D-RNS_decoy_scores.csv |
1XDG-AB8 | data/1X/1XDG-AB8/1XDG-AB8_ligand.pdbqt | data/1X/1XDG-AB8/1XDG-AB8_target.pdbqt | data/1X/1XDG-AB8/1XDG-AB8_decoys.pdbqt | data/1X/1XDG-AB8/1XDG-AB8_decoy_scores.csv |
1XII-XUL | data/1X/1XII-XUL/1XII-XUL_ligand.pdbqt | data/1X/1XII-XUL/1XII-XUL_target.pdbqt | data/1X/1XII-XUL/1XII-XUL_decoys.pdbqt | data/1X/1XII-XUL/1XII-XUL_decoy_scores.csv |
1X8T-RC1 | data/1X/1X8T-RC1/1X8T-RC1_ligand.pdbqt | data/1X/1X8T-RC1/1X8T-RC1_target.pdbqt | data/1X/1X8T-RC1/1X8T-RC1_decoys.pdbqt | data/1X/1X8T-RC1/1X8T-RC1_decoy_scores.csv |
1XOS-VIA | data/1X/1XOS-VIA/1XOS-VIA_ligand.pdbqt | data/1X/1XOS-VIA/1XOS-VIA_target.pdbqt | data/1X/1XOS-VIA/1XOS-VIA_decoys.pdbqt | data/1X/1XOS-VIA/1XOS-VIA_decoy_scores.csv |
1XJK-DGT | data/1X/1XJK-DGT/1XJK-DGT_ligand.pdbqt | data/1X/1XJK-DGT/1XJK-DGT_target.pdbqt | data/1X/1XJK-DGT/1XJK-DGT_decoys.pdbqt | data/1X/1XJK-DGT/1XJK-DGT_decoy_scores.csv |
1XQD-DND | data/1X/1XQD-DND/1XQD-DND_ligand.pdbqt | data/1X/1XQD-DND/1XQD-DND_target.pdbqt | data/1X/1XQD-DND/1XQD-DND_decoys.pdbqt | data/1X/1XQD-DND/1XQD-DND_decoy_scores.csv |
1XUD-PB4 | data/1X/1XUD-PB4/1XUD-PB4_ligand.pdbqt | data/1X/1XUD-PB4/1XUD-PB4_target.pdbqt | data/1X/1XUD-PB4/1XUD-PB4_decoys.pdbqt | data/1X/1XUD-PB4/1XUD-PB4_decoy_scores.csv |
1XFG-HGA | data/1X/1XFG-HGA/1XFG-HGA_ligand.pdbqt | data/1X/1XFG-HGA/1XFG-HGA_target.pdbqt | data/1X/1XFG-HGA/1XFG-HGA_decoys.pdbqt | data/1X/1XFG-HGA/1XFG-HGA_decoy_scores.csv |
1XBU-IOY | data/1X/1XBU-IOY/1XBU-IOY_ligand.pdbqt | data/1X/1XBU-IOY/1XBU-IOY_target.pdbqt | data/1X/1XBU-IOY/1XBU-IOY_decoys.pdbqt | data/1X/1XBU-IOY/1XBU-IOY_decoy_scores.csv |
1XL0-OX2 | data/1X/1XL0-OX2/1XL0-OX2_ligand.pdbqt | data/1X/1XL0-OX2/1XL0-OX2_target.pdbqt | data/1X/1XL0-OX2/1XL0-OX2_decoys.pdbqt | data/1X/1XL0-OX2/1XL0-OX2_decoy_scores.csv |
1X31-NAD | data/1X/1X31-NAD/1X31-NAD_ligand.pdbqt | data/1X/1X31-NAD/1X31-NAD_target.pdbqt | data/1X/1X31-NAD/1X31-NAD_decoys.pdbqt | data/1X/1X31-NAD/1X31-NAD_decoy_scores.csv |
1XBX-HMS | data/1X/1XBX-HMS/1XBX-HMS_ligand.pdbqt | data/1X/1XBX-HMS/1XBX-HMS_target.pdbqt | data/1X/1XBX-HMS/1XBX-HMS_decoys.pdbqt | data/1X/1XBX-HMS/1XBX-HMS_decoy_scores.csv |
1XJN-CDP | data/1X/1XJN-CDP/1XJN-CDP_ligand.pdbqt | data/1X/1XJN-CDP/1XJN-CDP_target.pdbqt | data/1X/1XJN-CDP/1XJN-CDP_decoys.pdbqt | data/1X/1XJN-CDP/1XJN-CDP_decoy_scores.csv |
1XIH-SOR | data/1X/1XIH-SOR/1XIH-SOR_ligand.pdbqt | data/1X/1XIH-SOR/1XIH-SOR_target.pdbqt | data/1X/1XIH-SOR/1XIH-SOR_decoys.pdbqt | data/1X/1XIH-SOR/1XIH-SOR_decoy_scores.csv |
1X54-4AD | data/1X/1X54-4AD/1X54-4AD_ligand.pdbqt | data/1X/1X54-4AD/1X54-4AD_target.pdbqt | data/1X/1X54-4AD/1X54-4AD_decoys.pdbqt | data/1X/1X54-4AD/1X54-4AD_decoy_scores.csv |
1XLX-CIO | data/1X/1XLX-CIO/1XLX-CIO_ligand.pdbqt | data/1X/1XLX-CIO/1XLX-CIO_target.pdbqt | data/1X/1XLX-CIO/1XLX-CIO_decoys.pdbqt | data/1X/1XLX-CIO/1XLX-CIO_decoy_scores.csv |
1XIM-XYL | data/1X/1XIM-XYL/1XIM-XYL_ligand.pdbqt | data/1X/1XIM-XYL/1XIM-XYL_target.pdbqt | data/1X/1XIM-XYL/1XIM-XYL_decoys.pdbqt | data/1X/1XIM-XYL/1XIM-XYL_decoy_scores.csv |
1XNY-BTN | data/1X/1XNY-BTN/1XNY-BTN_ligand.pdbqt | data/1X/1XNY-BTN/1XNY-BTN_target.pdbqt | data/1X/1XNY-BTN/1XNY-BTN_decoys.pdbqt | data/1X/1XNY-BTN/1XNY-BTN_decoy_scores.csv |
1X97-FIR | data/1X/1X97-FIR/1X97-FIR_ligand.pdbqt | data/1X/1X97-FIR/1X97-FIR_target.pdbqt | data/1X/1X97-FIR/1X97-FIR_decoys.pdbqt | data/1X/1X97-FIR/1X97-FIR_decoy_scores.csv |
1XG0-PEB | data/1X/1XG0-PEB/1XG0-PEB_ligand.pdbqt | data/1X/1XG0-PEB/1XG0-PEB_target.pdbqt | data/1X/1XG0-PEB/1XG0-PEB_decoys.pdbqt | data/1X/1XG0-PEB/1XG0-PEB_decoy_scores.csv |
1X84-SBH | data/1X/1X84-SBH/1X84-SBH_ligand.pdbqt | data/1X/1X84-SBH/1X84-SBH_target.pdbqt | data/1X/1X84-SBH/1X84-SBH_decoys.pdbqt | data/1X/1X84-SBH/1X84-SBH_decoy_scores.csv |
1XNJ-ADX | data/1X/1XNJ-ADX/1XNJ-ADX_ligand.pdbqt | data/1X/1XNJ-ADX/1XNJ-ADX_target.pdbqt | data/1X/1XNJ-ADX/1XNJ-ADX_decoys.pdbqt | data/1X/1XNJ-ADX/1XNJ-ADX_decoy_scores.csv |
1X2E-ATX | data/1X/1X2E-ATX/1X2E-ATX_ligand.pdbqt | data/1X/1X2E-ATX/1X2E-ATX_target.pdbqt | data/1X/1X2E-ATX/1X2E-ATX_decoys.pdbqt | data/1X/1X2E-ATX/1X2E-ATX_decoy_scores.csv |
1XJK-ADP | data/1X/1XJK-ADP/1XJK-ADP_ligand.pdbqt | data/1X/1XJK-ADP/1XJK-ADP_target.pdbqt | data/1X/1XJK-ADP/1XJK-ADP_decoys.pdbqt | data/1X/1XJK-ADP/1XJK-ADP_decoy_scores.csv |
1X1V-MMA | data/1X/1X1V-MMA/1X1V-MMA_ligand.pdbqt | data/1X/1X1V-MMA/1X1V-MMA_target.pdbqt | data/1X/1X1V-MMA/1X1V-MMA_decoys.pdbqt | data/1X/1X1V-MMA/1X1V-MMA_decoy_scores.csv |
1XOT-VDN | data/1X/1XOT-VDN/1XOT-VDN_ligand.pdbqt | data/1X/1XOT-VDN/1XOT-VDN_target.pdbqt | data/1X/1XOT-VDN/1XOT-VDN_decoys.pdbqt | data/1X/1XOT-VDN/1XOT-VDN_decoy_scores.csv |
1XQP-8HG | data/1X/1XQP-8HG/1XQP-8HG_ligand.pdbqt | data/1X/1XQP-8HG/1XQP-8HG_target.pdbqt | data/1X/1XQP-8HG/1XQP-8HG_decoys.pdbqt | data/1X/1XQP-8HG/1XQP-8HG_decoy_scores.csv |
1XT6-FMN | data/1X/1XT6-FMN/1XT6-FMN_ligand.pdbqt | data/1X/1XT6-FMN/1XT6-FMN_target.pdbqt | data/1X/1XT6-FMN/1XT6-FMN_decoys.pdbqt | data/1X/1XT6-FMN/1XT6-FMN_decoy_scores.csv |
1X1R-GDP | data/1X/1X1R-GDP/1X1R-GDP_ligand.pdbqt | data/1X/1X1R-GDP/1X1R-GDP_target.pdbqt | data/1X/1X1R-GDP/1X1R-GDP_decoys.pdbqt | data/1X/1X1R-GDP/1X1R-GDP_decoy_scores.csv |
1X0I-RET | data/1X/1X0I-RET/1X0I-RET_ligand.pdbqt | data/1X/1X0I-RET/1X0I-RET_target.pdbqt | data/1X/1X0I-RET/1X0I-RET_decoys.pdbqt | data/1X/1X0I-RET/1X0I-RET_decoy_scores.csv |
1XMJ-ATP | data/1X/1XMJ-ATP/1XMJ-ATP_ligand.pdbqt | data/1X/1XMJ-ATP/1XMJ-ATP_target.pdbqt | data/1X/1XMJ-ATP/1XMJ-ATP_decoys.pdbqt | data/1X/1XMJ-ATP/1XMJ-ATP_decoy_scores.csv |
1XQ3-R18 | data/1X/1XQ3-R18/1XQ3-R18_ligand.pdbqt | data/1X/1XQ3-R18/1XQ3-R18_target.pdbqt | data/1X/1XQ3-R18/1XQ3-R18_decoys.pdbqt | data/1X/1XQ3-R18/1XQ3-R18_decoy_scores.csv |
1XJG-DTP | data/1X/1XJG-DTP/1XJG-DTP_ligand.pdbqt | data/1X/1XJG-DTP/1XJG-DTP_target.pdbqt | data/1X/1XJG-DTP/1XJG-DTP_decoys.pdbqt | data/1X/1XJG-DTP/1XJG-DTP_decoy_scores.csv |
1XN0-ROL | data/1X/1XN0-ROL/1XN0-ROL_ligand.pdbqt | data/1X/1XN0-ROL/1XN0-ROL_target.pdbqt | data/1X/1XN0-ROL/1XN0-ROL_decoys.pdbqt | data/1X/1XN0-ROL/1XN0-ROL_decoy_scores.csv |
1XON-PIL | data/1X/1XON-PIL/1XON-PIL_ligand.pdbqt | data/1X/1XON-PIL/1XON-PIL_target.pdbqt | data/1X/1XON-PIL/1XON-PIL_decoys.pdbqt | data/1X/1XON-PIL/1XON-PIL_decoy_scores.csv |
1XAG-NAD | data/1X/1XAG-NAD/1XAG-NAD_ligand.pdbqt | data/1X/1XAG-NAD/1XAG-NAD_target.pdbqt | data/1X/1XAG-NAD/1XAG-NAD_decoys.pdbqt | data/1X/1XAG-NAD/1XAG-NAD_decoy_scores.csv |
1XQW-PHE | data/1X/1XQW-PHE/1XQW-PHE_ligand.pdbqt | data/1X/1XQW-PHE/1XQW-PHE_target.pdbqt | data/1X/1XQW-PHE/1XQW-PHE_decoys.pdbqt | data/1X/1XQW-PHE/1XQW-PHE_decoy_scores.csv |
1XIU-9CR | data/1X/1XIU-9CR/1XIU-9CR_ligand.pdbqt | data/1X/1XIU-9CR/1XIU-9CR_target.pdbqt | data/1X/1XIU-9CR/1XIU-9CR_decoys.pdbqt | data/1X/1XIU-9CR/1XIU-9CR_decoy_scores.csv |
1XBV-5RP | data/1X/1XBV-5RP/1XBV-5RP_ligand.pdbqt | data/1X/1XBV-5RP/1XBV-5RP_target.pdbqt | data/1X/1XBV-5RP/1XBV-5RP_decoys.pdbqt | data/1X/1XBV-5RP/1XBV-5RP_decoy_scores.csv |
1XA7-PNM | data/1X/1XA7-PNM/1XA7-PNM_ligand.pdbqt | data/1X/1XA7-PNM/1XA7-PNM_target.pdbqt | data/1X/1XA7-PNM/1XA7-PNM_decoys.pdbqt | data/1X/1XA7-PNM/1XA7-PNM_decoy_scores.csv |
1X8L-A3P | data/1X/1X8L-A3P/1X8L-A3P_ligand.pdbqt | data/1X/1X8L-A3P/1X8L-A3P_target.pdbqt | data/1X/1X8L-A3P/1X8L-A3P_decoys.pdbqt | data/1X/1X8L-A3P/1X8L-A3P_decoy_scores.csv |
1XBC-STU | data/1X/1XBC-STU/1XBC-STU_ligand.pdbqt | data/1X/1XBC-STU/1XBC-STU_target.pdbqt | data/1X/1XBC-STU/1XBC-STU_decoys.pdbqt | data/1X/1XBC-STU/1XBC-STU_decoy_scores.csv |
1XKD-ICT | data/1X/1XKD-ICT/1XKD-ICT_ligand.pdbqt | data/1X/1XKD-ICT/1XKD-ICT_target.pdbqt | data/1X/1XKD-ICT/1XKD-ICT_decoys.pdbqt | data/1X/1XKD-ICT/1XKD-ICT_decoy_scores.csv |
1XBB-STI | data/1X/1XBB-STI/1XBB-STI_ligand.pdbqt | data/1X/1XBB-STI/1XBB-STI_target.pdbqt | data/1X/1XBB-STI/1XBB-STI_decoys.pdbqt | data/1X/1XBB-STI/1XBB-STI_decoy_scores.csv |
1XIG-XYL | data/1X/1XIG-XYL/1XIG-XYL_ligand.pdbqt | data/1X/1XIG-XYL/1XIG-XYL_target.pdbqt | data/1X/1XIG-XYL/1XIG-XYL_decoys.pdbqt | data/1X/1XIG-XYL/1XIG-XYL_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.