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 ⌀ |
|---|---|---|---|---|
1U3V-NAD | data/1U/1U3V-NAD/1U3V-NAD_ligand.pdbqt | data/1U/1U3V-NAD/1U3V-NAD_target.pdbqt | data/1U/1U3V-NAD/1U3V-NAD_decoys.pdbqt | data/1U/1U3V-NAD/1U3V-NAD_decoy_scores.csv |
1U5V-ATP | data/1U/1U5V-ATP/1U5V-ATP_ligand.pdbqt | data/1U/1U5V-ATP/1U5V-ATP_target.pdbqt | data/1U/1U5V-ATP/1U5V-ATP_decoys.pdbqt | data/1U/1U5V-ATP/1U5V-ATP_decoy_scores.csv |
1UWR-GAF | data/1U/1UWR-GAF/1UWR-GAF_ligand.pdbqt | data/1U/1UWR-GAF/1UWR-GAF_target.pdbqt | data/1U/1UWR-GAF/1UWR-GAF_decoys.pdbqt | data/1U/1UWR-GAF/1UWR-GAF_decoy_scores.csv |
1UXT-G1P | data/1U/1UXT-G1P/1UXT-G1P_ligand.pdbqt | data/1U/1UXT-G1P/1UXT-G1P_target.pdbqt | data/1U/1UXT-G1P/1UXT-G1P_decoys.pdbqt | data/1U/1UXT-G1P/1UXT-G1P_decoy_scores.csv |
1UU7-BI2 | data/1U/1UU7-BI2/1UU7-BI2_ligand.pdbqt | data/1U/1UU7-BI2/1UU7-BI2_target.pdbqt | data/1U/1UU7-BI2/1UU7-BI2_decoys.pdbqt | data/1U/1UU7-BI2/1UU7-BI2_decoy_scores.csv |
1U1F-183 | data/1U/1U1F-183/1U1F-183_ligand.pdbqt | data/1U/1U1F-183/1U1F-183_target.pdbqt | data/1U/1U1F-183/1U1F-183_decoys.pdbqt | data/1U/1U1F-183/1U1F-183_decoy_scores.csv |
1UUO-FMN | data/1U/1UUO-FMN/1UUO-FMN_ligand.pdbqt | data/1U/1UUO-FMN/1UUO-FMN_target.pdbqt | data/1U/1UUO-FMN/1UUO-FMN_decoys.pdbqt | data/1U/1UUO-FMN/1UUO-FMN_decoy_scores.csv |
1UIP-PUR | data/1U/1UIP-PUR/1UIP-PUR_ligand.pdbqt | data/1U/1UIP-PUR/1UIP-PUR_target.pdbqt | data/1U/1UIP-PUR/1UIP-PUR_decoys.pdbqt | data/1U/1UIP-PUR/1UIP-PUR_decoy_scores.csv |
1U5R-ATP | data/1U/1U5R-ATP/1U5R-ATP_ligand.pdbqt | data/1U/1U5R-ATP/1U5R-ATP_target.pdbqt | data/1U/1U5R-ATP/1U5R-ATP_decoys.pdbqt | data/1U/1U5R-ATP/1U5R-ATP_decoy_scores.csv |
1UKZ-AMP | data/1U/1UKZ-AMP/1UKZ-AMP_ligand.pdbqt | data/1U/1UKZ-AMP/1UKZ-AMP_target.pdbqt | data/1U/1UKZ-AMP/1UKZ-AMP_decoys.pdbqt | data/1U/1UKZ-AMP/1UKZ-AMP_decoy_scores.csv |
1U5A-BIK | data/1U/1U5A-BIK/1U5A-BIK_ligand.pdbqt | data/1U/1U5A-BIK/1U5A-BIK_target.pdbqt | data/1U/1U5A-BIK/1U5A-BIK_decoys.pdbqt | data/1U/1U5A-BIK/1U5A-BIK_decoy_scores.csv |
1UZF-MCO | data/1U/1UZF-MCO/1UZF-MCO_ligand.pdbqt | data/1U/1UZF-MCO/1UZF-MCO_target.pdbqt | data/1U/1UZF-MCO/1UZF-MCO_decoys.pdbqt | data/1U/1UZF-MCO/1UZF-MCO_decoy_scores.csv |
1USN-IN9 | data/1U/1USN-IN9/1USN-IN9_ligand.pdbqt | data/1U/1USN-IN9/1USN-IN9_target.pdbqt | data/1U/1USN-IN9/1USN-IN9_decoys.pdbqt | data/1U/1USN-IN9/1USN-IN9_decoy_scores.csv |
1UP7-NAD | data/1U/1UP7-NAD/1UP7-NAD_ligand.pdbqt | data/1U/1UP7-NAD/1UP7-NAD_target.pdbqt | data/1U/1UP7-NAD/1UP7-NAD_decoys.pdbqt | data/1U/1UP7-NAD/1UP7-NAD_decoy_scores.csv |
1UYR-D1L | data/1U/1UYR-D1L/1UYR-D1L_ligand.pdbqt | data/1U/1UYR-D1L/1UYR-D1L_target.pdbqt | data/1U/1UYR-D1L/1UYR-D1L_decoys.pdbqt | data/1U/1UYR-D1L/1UYR-D1L_decoy_scores.csv |
1US0-LDT | data/1U/1US0-LDT/1US0-LDT_ligand.pdbqt | data/1U/1US0-LDT/1US0-LDT_target.pdbqt | data/1U/1US0-LDT/1US0-LDT_decoys.pdbqt | data/1U/1US0-LDT/1US0-LDT_decoy_scores.csv |
1UZ1-IFL | data/1U/1UZ1-IFL/1UZ1-IFL_ligand.pdbqt | data/1U/1UZ1-IFL/1UZ1-IFL_target.pdbqt | data/1U/1UZ1-IFL/1UZ1-IFL_decoys.pdbqt | data/1U/1UZ1-IFL/1UZ1-IFL_decoy_scores.csv |
1UU8-BI1 | data/1U/1UU8-BI1/1UU8-BI1_ligand.pdbqt | data/1U/1UU8-BI1/1UU8-BI1_target.pdbqt | data/1U/1UU8-BI1/1UU8-BI1_decoys.pdbqt | data/1U/1UU8-BI1/1UU8-BI1_decoy_scores.csv |
1UJ5-5RP | data/1U/1UJ5-5RP/1UJ5-5RP_ligand.pdbqt | data/1U/1UJ5-5RP/1UJ5-5RP_target.pdbqt | data/1U/1UJ5-5RP/1UJ5-5RP_decoys.pdbqt | data/1U/1UJ5-5RP/1UJ5-5RP_decoy_scores.csv |
1U90-GDP | data/1U/1U90-GDP/1U90-GDP_ligand.pdbqt | data/1U/1U90-GDP/1U90-GDP_target.pdbqt | data/1U/1U90-GDP/1U90-GDP_decoys.pdbqt | data/1U/1U90-GDP/1U90-GDP_decoy_scores.csv |
1USQ-CLM | data/1U/1USQ-CLM/1USQ-CLM_ligand.pdbqt | data/1U/1USQ-CLM/1USQ-CLM_target.pdbqt | data/1U/1USQ-CLM/1USQ-CLM_decoys.pdbqt | data/1U/1USQ-CLM/1USQ-CLM_decoy_scores.csv |
1U9E-397 | data/1U/1U9E-397/1U9E-397_ligand.pdbqt | data/1U/1U9E-397/1U9E-397_target.pdbqt | data/1U/1U9E-397/1U9E-397_decoys.pdbqt | data/1U/1U9E-397/1U9E-397_decoy_scores.csv |
1UB5-SPB | data/1U/1UB5-SPB/1UB5-SPB_ligand.pdbqt | data/1U/1UB5-SPB/1UB5-SPB_target.pdbqt | data/1U/1UB5-SPB/1UB5-SPB_decoys.pdbqt | data/1U/1UB5-SPB/1UB5-SPB_decoy_scores.csv |
1UNH-IXM | data/1U/1UNH-IXM/1UNH-IXM_ligand.pdbqt | data/1U/1UNH-IXM/1UNH-IXM_target.pdbqt | data/1U/1UNH-IXM/1UNH-IXM_decoys.pdbqt | data/1U/1UNH-IXM/1UNH-IXM_decoy_scores.csv |
1UAK-SAM | data/1U/1UAK-SAM/1UAK-SAM_ligand.pdbqt | data/1U/1UAK-SAM/1UAK-SAM_target.pdbqt | data/1U/1UAK-SAM/1UAK-SAM_decoys.pdbqt | data/1U/1UAK-SAM/1UAK-SAM_decoy_scores.csv |
1UH5-NAD | data/1U/1UH5-NAD/1UH5-NAD_ligand.pdbqt | data/1U/1UH5-NAD/1UH5-NAD_target.pdbqt | data/1U/1UH5-NAD/1UH5-NAD_decoys.pdbqt | data/1U/1UH5-NAD/1UH5-NAD_decoy_scores.csv |
1UHK-CZN | data/1U/1UHK-CZN/1UHK-CZN_ligand.pdbqt | data/1U/1UHK-CZN/1UHK-CZN_target.pdbqt | data/1U/1UHK-CZN/1UHK-CZN_decoys.pdbqt | data/1U/1UHK-CZN/1UHK-CZN_decoy_scores.csv |
1UWZ-THU | data/1U/1UWZ-THU/1UWZ-THU_ligand.pdbqt | data/1U/1UWZ-THU/1UWZ-THU_target.pdbqt | data/1U/1UWZ-THU/1UWZ-THU_decoys.pdbqt | data/1U/1UWZ-THU/1UWZ-THU_decoy_scores.csv |
1UY8-PU5 | data/1U/1UY8-PU5/1UY8-PU5_ligand.pdbqt | data/1U/1UY8-PU5/1UY8-PU5_target.pdbqt | data/1U/1UY8-PU5/1UY8-PU5_decoys.pdbqt | data/1U/1UY8-PU5/1UY8-PU5_decoy_scores.csv |
1UCN-ADP | data/1U/1UCN-ADP/1UCN-ADP_ligand.pdbqt | data/1U/1UCN-ADP/1UCN-ADP_target.pdbqt | data/1U/1UCN-ADP/1UCN-ADP_decoys.pdbqt | data/1U/1UCN-ADP/1UCN-ADP_decoy_scores.csv |
1U3U-NAD | data/1U/1U3U-NAD/1U3U-NAD_ligand.pdbqt | data/1U/1U3U-NAD/1U3U-NAD_target.pdbqt | data/1U/1U3U-NAD/1U3U-NAD_decoys.pdbqt | data/1U/1U3U-NAD/1U3U-NAD_decoy_scores.csv |
1UWF-DEG | data/1U/1UWF-DEG/1UWF-DEG_ligand.pdbqt | data/1U/1UWF-DEG/1UWF-DEG_target.pdbqt | data/1U/1UWF-DEG/1UWF-DEG_decoys.pdbqt | data/1U/1UWF-DEG/1UWF-DEG_decoy_scores.csv |
1UDC-NAD | data/1U/1UDC-NAD/1UDC-NAD_ligand.pdbqt | data/1U/1UDC-NAD/1UDC-NAD_target.pdbqt | data/1U/1UDC-NAD/1UDC-NAD_decoys.pdbqt | data/1U/1UDC-NAD/1UDC-NAD_decoy_scores.csv |
1UMP-SQA | data/1U/1UMP-SQA/1UMP-SQA_ligand.pdbqt | data/1U/1UMP-SQA/1UMP-SQA_target.pdbqt | data/1U/1UMP-SQA/1UMP-SQA_decoys.pdbqt | data/1U/1UMP-SQA/1UMP-SQA_decoy_scores.csv |
1UQX-MMA | data/1U/1UQX-MMA/1UQX-MMA_ligand.pdbqt | data/1U/1UQX-MMA/1UQX-MMA_target.pdbqt | data/1U/1UQX-MMA/1UQX-MMA_decoys.pdbqt | data/1U/1UQX-MMA/1UQX-MMA_decoy_scores.csv |
1UBX-FPP | data/1U/1UBX-FPP/1UBX-FPP_ligand.pdbqt | data/1U/1UBX-FPP/1UBX-FPP_target.pdbqt | data/1U/1UBX-FPP/1UBX-FPP_decoys.pdbqt | data/1U/1UBX-FPP/1UBX-FPP_decoy_scores.csv |
1UAD-GNP | data/1U/1UAD-GNP/1UAD-GNP_ligand.pdbqt | data/1U/1UAD-GNP/1UAD-GNP_target.pdbqt | data/1U/1UAD-GNP/1UAD-GNP_decoys.pdbqt | data/1U/1UAD-GNP/1UAD-GNP_decoy_scores.csv |
1UAS-GLA | data/1U/1UAS-GLA/1UAS-GLA_ligand.pdbqt | data/1U/1UAS-GLA/1UAS-GLA_target.pdbqt | null | null |
1UF5-CDT | data/1U/1UF5-CDT/1UF5-CDT_ligand.pdbqt | data/1U/1UF5-CDT/1UF5-CDT_target.pdbqt | data/1U/1UF5-CDT/1UF5-CDT_decoys.pdbqt | data/1U/1UF5-CDT/1UF5-CDT_decoy_scores.csv |
1U3G-ADP | data/1U/1U3G-ADP/1U3G-ADP_ligand.pdbqt | data/1U/1U3G-ADP/1U3G-ADP_target.pdbqt | data/1U/1U3G-ADP/1U3G-ADP_decoys.pdbqt | data/1U/1U3G-ADP/1U3G-ADP_decoy_scores.csv |
1U1D-181 | data/1U/1U1D-181/1U1D-181_ligand.pdbqt | data/1U/1U1D-181/1U1D-181_target.pdbqt | data/1U/1U1D-181/1U1D-181_decoys.pdbqt | data/1U/1U1D-181/1U1D-181_decoy_scores.csv |
1UWT-GTL | data/1U/1UWT-GTL/1UWT-GTL_ligand.pdbqt | data/1U/1UWT-GTL/1UWT-GTL_target.pdbqt | data/1U/1UWT-GTL/1UWT-GTL_decoys.pdbqt | data/1U/1UWT-GTL/1UWT-GTL_decoy_scores.csv |
1UUO-BRF | data/1U/1UUO-BRF/1UUO-BRF_ligand.pdbqt | data/1U/1UUO-BRF/1UUO-BRF_target.pdbqt | data/1U/1UUO-BRF/1UUO-BRF_decoys.pdbqt | data/1U/1UUO-BRF/1UUO-BRF_decoy_scores.csv |
1UHH-CZP | data/1U/1UHH-CZP/1UHH-CZP_ligand.pdbqt | data/1U/1UHH-CZP/1UHH-CZP_target.pdbqt | data/1U/1UHH-CZP/1UHH-CZP_decoys.pdbqt | data/1U/1UHH-CZP/1UHH-CZP_decoy_scores.csv |
1UX0-THU | data/1U/1UX0-THU/1UX0-THU_ligand.pdbqt | data/1U/1UX0-THU/1UX0-THU_target.pdbqt | data/1U/1UX0-THU/1UX0-THU_decoys.pdbqt | data/1U/1UX0-THU/1UX0-THU_decoy_scores.csv |
1UXU-AMP | data/1U/1UXU-AMP/1UXU-AMP_ligand.pdbqt | data/1U/1UXU-AMP/1UXU-AMP_target.pdbqt | data/1U/1UXU-AMP/1UXU-AMP_decoys.pdbqt | data/1U/1UXU-AMP/1UXU-AMP_decoy_scores.csv |
1U68-NPR | data/1U/1U68-NPR/1U68-NPR_ligand.pdbqt | data/1U/1U68-NPR/1U68-NPR_target.pdbqt | data/1U/1U68-NPR/1U68-NPR_decoys.pdbqt | data/1U/1U68-NPR/1U68-NPR_decoy_scores.csv |
1UX1-THU | data/1U/1UX1-THU/1UX1-THU_ligand.pdbqt | data/1U/1UX1-THU/1UX1-THU_target.pdbqt | data/1U/1UX1-THU/1UX1-THU_decoys.pdbqt | data/1U/1UX1-THU/1UX1-THU_decoy_scores.csv |
1UU1-HSA | data/1U/1UU1-HSA/1UU1-HSA_ligand.pdbqt | data/1U/1UU1-HSA/1UU1-HSA_target.pdbqt | data/1U/1UU1-HSA/1UU1-HSA_decoys.pdbqt | data/1U/1UU1-HSA/1UU1-HSA_decoy_scores.csv |
1U3F-ADP | data/1U/1U3F-ADP/1U3F-ADP_ligand.pdbqt | data/1U/1U3F-ADP/1U3F-ADP_target.pdbqt | data/1U/1U3F-ADP/1U3F-ADP_decoys.pdbqt | data/1U/1U3F-ADP/1U3F-ADP_decoy_scores.csv |
1UAL-SAH | data/1U/1UAL-SAH/1UAL-SAH_ligand.pdbqt | data/1U/1UAL-SAH/1UAL-SAH_target.pdbqt | data/1U/1UAL-SAH/1UAL-SAH_decoys.pdbqt | data/1U/1UAL-SAH/1UAL-SAH_decoy_scores.csv |
1U71-MXA | data/1U/1U71-MXA/1U71-MXA_ligand.pdbqt | data/1U/1U71-MXA/1U71-MXA_target.pdbqt | data/1U/1U71-MXA/1U71-MXA_decoys.pdbqt | data/1U/1U71-MXA/1U71-MXA_decoy_scores.csv |
1UPP-CAP | data/1U/1UPP-CAP/1UPP-CAP_ligand.pdbqt | data/1U/1UPP-CAP/1UPP-CAP_target.pdbqt | data/1U/1UPP-CAP/1UPP-CAP_decoys.pdbqt | data/1U/1UPP-CAP/1UPP-CAP_decoy_scores.csv |
1UTT-CP8 | data/1U/1UTT-CP8/1UTT-CP8_ligand.pdbqt | data/1U/1UTT-CP8/1UTT-CP8_target.pdbqt | data/1U/1UTT-CP8/1UTT-CP8_decoys.pdbqt | data/1U/1UTT-CP8/1UTT-CP8_decoy_scores.csv |
1UPV-444 | data/1U/1UPV-444/1UPV-444_ligand.pdbqt | data/1U/1UPV-444/1UPV-444_target.pdbqt | data/1U/1UPV-444/1UPV-444_decoys.pdbqt | data/1U/1UPV-444/1UPV-444_decoy_scores.csv |
1UXN-AMP | data/1U/1UXN-AMP/1UXN-AMP_ligand.pdbqt | data/1U/1UXN-AMP/1UXN-AMP_target.pdbqt | data/1U/1UXN-AMP/1UXN-AMP_decoys.pdbqt | data/1U/1UXN-AMP/1UXN-AMP_decoy_scores.csv |
1U70-MTX | data/1U/1U70-MTX/1U70-MTX_ligand.pdbqt | data/1U/1U70-MTX/1U70-MTX_target.pdbqt | data/1U/1U70-MTX/1U70-MTX_decoys.pdbqt | data/1U/1U70-MTX/1U70-MTX_decoy_scores.csv |
1UNQ-4IP | data/1U/1UNQ-4IP/1UNQ-4IP_ligand.pdbqt | data/1U/1UNQ-4IP/1UNQ-4IP_target.pdbqt | data/1U/1UNQ-4IP/1UNQ-4IP_decoys.pdbqt | data/1U/1UNQ-4IP/1UNQ-4IP_decoy_scores.csv |
1UUM-FMN | data/1U/1UUM-FMN/1UUM-FMN_ligand.pdbqt | data/1U/1UUM-FMN/1UUM-FMN_target.pdbqt | data/1U/1UUM-FMN/1UUM-FMN_decoys.pdbqt | data/1U/1UUM-FMN/1UUM-FMN_decoy_scores.csv |
1UTZ-PF3 | data/1U/1UTZ-PF3/1UTZ-PF3_ligand.pdbqt | data/1U/1UTZ-PF3/1UTZ-PF3_target.pdbqt | data/1U/1UTZ-PF3/1UTZ-PF3_decoys.pdbqt | data/1U/1UTZ-PF3/1UTZ-PF3_decoy_scores.csv |
1U0Z-RDC | data/1U/1U0Z-RDC/1U0Z-RDC_ligand.pdbqt | data/1U/1U0Z-RDC/1U0Z-RDC_target.pdbqt | data/1U/1U0Z-RDC/1U0Z-RDC_decoys.pdbqt | data/1U/1U0Z-RDC/1U0Z-RDC_decoy_scores.csv |
1UB3-HPD | data/1U/1UB3-HPD/1UB3-HPD_ligand.pdbqt | data/1U/1UB3-HPD/1UB3-HPD_target.pdbqt | data/1U/1UB3-HPD/1UB3-HPD_decoys.pdbqt | data/1U/1UB3-HPD/1UB3-HPD_decoy_scores.csv |
1UHJ-CZB | data/1U/1UHJ-CZB/1UHJ-CZB_ligand.pdbqt | data/1U/1UHJ-CZB/1UHJ-CZB_target.pdbqt | data/1U/1UHJ-CZB/1UHJ-CZB_decoys.pdbqt | data/1U/1UHJ-CZB/1UHJ-CZB_decoy_scores.csv |
1UAE-UD1 | data/1U/1UAE-UD1/1UAE-UD1_ligand.pdbqt | data/1U/1UAE-UD1/1UAE-UD1_target.pdbqt | data/1U/1UAE-UD1/1UAE-UD1_decoys.pdbqt | data/1U/1UAE-UD1/1UAE-UD1_decoy_scores.csv |
1UPJ-U01 | data/1U/1UPJ-U01/1UPJ-U01_ligand.pdbqt | data/1U/1UPJ-U01/1UPJ-U01_target.pdbqt | data/1U/1UPJ-U01/1UPJ-U01_decoys.pdbqt | data/1U/1UPJ-U01/1UPJ-U01_decoy_scores.csv |
1UXG-NAD | data/1U/1UXG-NAD/1UXG-NAD_ligand.pdbqt | data/1U/1UXG-NAD/1UXG-NAD_target.pdbqt | data/1U/1UXG-NAD/1UXG-NAD_decoys.pdbqt | data/1U/1UXG-NAD/1UXG-NAD_decoy_scores.csv |
1U27-4IP | data/1U/1U27-4IP/1U27-4IP_ligand.pdbqt | data/1U/1U27-4IP/1U27-4IP_target.pdbqt | data/1U/1U27-4IP/1U27-4IP_decoys.pdbqt | data/1U/1U27-4IP/1U27-4IP_decoy_scores.csv |
1UYQ-G2F | data/1U/1UYQ-G2F/1UYQ-G2F_ligand.pdbqt | data/1U/1UYQ-G2F/1UYQ-G2F_target.pdbqt | data/1U/1UYQ-G2F/1UYQ-G2F_decoys.pdbqt | data/1U/1UYQ-G2F/1UYQ-G2F_decoy_scores.csv |
1UP2-BGC | data/1U/1UP2-BGC/1UP2-BGC_ligand.pdbqt | data/1U/1UP2-BGC/1UP2-BGC_target.pdbqt | data/1U/1UP2-BGC/1UP2-BGC_decoys.pdbqt | data/1U/1UP2-BGC/1UP2-BGC_decoy_scores.csv |
1U2Z-SAH | data/1U/1U2Z-SAH/1U2Z-SAH_ligand.pdbqt | data/1U/1U2Z-SAH/1U2Z-SAH_target.pdbqt | data/1U/1U2Z-SAH/1U2Z-SAH_decoys.pdbqt | data/1U/1U2Z-SAH/1U2Z-SAH_decoy_scores.csv |
1UUM-ORO | data/1U/1UUM-ORO/1UUM-ORO_ligand.pdbqt | data/1U/1UUM-ORO/1UUM-ORO_target.pdbqt | data/1U/1UUM-ORO/1UUM-ORO_decoys.pdbqt | data/1U/1UUM-ORO/1UUM-ORO_decoy_scores.csv |
1UPT-GTP | data/1U/1UPT-GTP/1UPT-GTP_ligand.pdbqt | data/1U/1UPT-GTP/1UPT-GTP_target.pdbqt | data/1U/1UPT-GTP/1UPT-GTP_decoys.pdbqt | data/1U/1UPT-GTP/1UPT-GTP_decoy_scores.csv |
1URW-I1P | data/1U/1URW-I1P/1URW-I1P_ligand.pdbqt | data/1U/1URW-I1P/1URW-I1P_target.pdbqt | data/1U/1URW-I1P/1URW-I1P_decoys.pdbqt | data/1U/1URW-I1P/1URW-I1P_decoy_scores.csv |
1UJ2-C5P | data/1U/1UJ2-C5P/1UJ2-C5P_ligand.pdbqt | data/1U/1UJ2-C5P/1UJ2-C5P_target.pdbqt | data/1U/1UJ2-C5P/1UJ2-C5P_decoys.pdbqt | data/1U/1UJ2-C5P/1UJ2-C5P_decoy_scores.csv |
1UGW-GAL | data/1U/1UGW-GAL/1UGW-GAL_ligand.pdbqt | data/1U/1UGW-GAL/1UGW-GAL_target.pdbqt | data/1U/1UGW-GAL/1UGW-GAL_decoys.pdbqt | data/1U/1UGW-GAL/1UGW-GAL_decoy_scores.csv |
1UTL-PRA | data/1U/1UTL-PRA/1UTL-PRA_ligand.pdbqt | data/1U/1UTL-PRA/1UTL-PRA_target.pdbqt | data/1U/1UTL-PRA/1UTL-PRA_decoys.pdbqt | data/1U/1UTL-PRA/1UTL-PRA_decoy_scores.csv |
1U7H-NAD | data/1U/1U7H-NAD/1U7H-NAD_ligand.pdbqt | data/1U/1U7H-NAD/1U7H-NAD_target.pdbqt | data/1U/1U7H-NAD/1U7H-NAD_decoys.pdbqt | data/1U/1U7H-NAD/1U7H-NAD_decoy_scores.csv |
1U3T-NAD | data/1U/1U3T-NAD/1U3T-NAD_ligand.pdbqt | data/1U/1U3T-NAD/1U3T-NAD_target.pdbqt | data/1U/1U3T-NAD/1U3T-NAD_decoys.pdbqt | data/1U/1U3T-NAD/1U3T-NAD_decoy_scores.csv |
1U25-IHS | data/1U/1U25-IHS/1U25-IHS_ligand.pdbqt | data/1U/1U25-IHS/1U25-IHS_target.pdbqt | data/1U/1U25-IHS/1U25-IHS_decoys.pdbqt | data/1U/1U25-IHS/1U25-IHS_decoy_scores.csv |
1UW6-NCT | data/1U/1UW6-NCT/1UW6-NCT_ligand.pdbqt | data/1U/1UW6-NCT/1UW6-NCT_target.pdbqt | data/1U/1UW6-NCT/1UW6-NCT_decoys.pdbqt | data/1U/1UW6-NCT/1UW6-NCT_decoy_scores.csv |
1UY7-PU4 | data/1U/1UY7-PU4/1UY7-PU4_ligand.pdbqt | data/1U/1UY7-PU4/1UY7-PU4_target.pdbqt | data/1U/1UY7-PU4/1UY7-PU4_decoys.pdbqt | data/1U/1UY7-PU4/1UY7-PU4_decoy_scores.csv |
1UWK-URO | data/1U/1UWK-URO/1UWK-URO_ligand.pdbqt | data/1U/1UWK-URO/1UWK-URO_target.pdbqt | data/1U/1UWK-URO/1UWK-URO_decoys.pdbqt | data/1U/1UWK-URO/1UWK-URO_decoy_scores.csv |
1U1W-3HA | data/1U/1U1W-3HA/1U1W-3HA_ligand.pdbqt | data/1U/1U1W-3HA/1U1W-3HA_target.pdbqt | data/1U/1U1W-3HA/1U1W-3HA_decoys.pdbqt | data/1U/1U1W-3HA/1U1W-3HA_decoy_scores.csv |
1U26-IHS | data/1U/1U26-IHS/1U26-IHS_ligand.pdbqt | data/1U/1U26-IHS/1U26-IHS_target.pdbqt | data/1U/1U26-IHS/1U26-IHS_decoys.pdbqt | data/1U/1U26-IHS/1U26-IHS_decoy_scores.csv |
1UW1-ADP | data/1U/1UW1-ADP/1UW1-ADP_ligand.pdbqt | data/1U/1UW1-ADP/1UW1-ADP_target.pdbqt | data/1U/1UW1-ADP/1UW1-ADP_decoys.pdbqt | data/1U/1UW1-ADP/1UW1-ADP_decoy_scores.csv |
1USF-FMN | data/1U/1USF-FMN/1USF-FMN_ligand.pdbqt | data/1U/1USF-FMN/1USF-FMN_target.pdbqt | data/1U/1USF-FMN/1USF-FMN_decoys.pdbqt | data/1U/1USF-FMN/1USF-FMN_decoy_scores.csv |
1UML-FR4 | data/1U/1UML-FR4/1UML-FR4_ligand.pdbqt | data/1U/1UML-FR4/1UML-FR4_target.pdbqt | data/1U/1UML-FR4/1UML-FR4_decoys.pdbqt | data/1U/1UML-FR4/1UML-FR4_decoy_scores.csv |
1U1I-NAD | data/1U/1U1I-NAD/1U1I-NAD_ligand.pdbqt | data/1U/1U1I-NAD/1U1I-NAD_target.pdbqt | data/1U/1U1I-NAD/1U1I-NAD_decoys.pdbqt | data/1U/1U1I-NAD/1U1I-NAD_decoy_scores.csv |
1UDT-VIA | data/1U/1UDT-VIA/1UDT-VIA_ligand.pdbqt | data/1U/1UDT-VIA/1UDT-VIA_target.pdbqt | data/1U/1UDT-VIA/1UDT-VIA_decoys.pdbqt | data/1U/1UDT-VIA/1UDT-VIA_decoy_scores.csv |
1UVB-PAM | data/1U/1UVB-PAM/1UVB-PAM_ligand.pdbqt | data/1U/1UVB-PAM/1UVB-PAM_target.pdbqt | data/1U/1UVB-PAM/1UVB-PAM_decoys.pdbqt | data/1U/1UVB-PAM/1UVB-PAM_decoy_scores.csv |
1UUY-AMP | data/1U/1UUY-AMP/1UUY-AMP_ligand.pdbqt | data/1U/1UUY-AMP/1UUY-AMP_target.pdbqt | data/1U/1UUY-AMP/1UUY-AMP_decoys.pdbqt | data/1U/1UUY-AMP/1UUY-AMP_decoy_scores.csv |
1U2S-GLC | data/1U/1U2S-GLC/1U2S-GLC_ligand.pdbqt | data/1U/1U2S-GLC/1U2S-GLC_target.pdbqt | data/1U/1U2S-GLC/1U2S-GLC_decoys.pdbqt | data/1U/1U2S-GLC/1U2S-GLC_decoy_scores.csv |
1UA4-AMP | data/1U/1UA4-AMP/1UA4-AMP_ligand.pdbqt | data/1U/1UA4-AMP/1UA4-AMP_target.pdbqt | data/1U/1UA4-AMP/1UA4-AMP_decoys.pdbqt | data/1U/1UA4-AMP/1UA4-AMP_decoy_scores.csv |
1UP7-G6P | data/1U/1UP7-G6P/1UP7-G6P_ligand.pdbqt | data/1U/1UP7-G6P/1UP7-G6P_target.pdbqt | data/1U/1UP7-G6P/1UP7-G6P_decoys.pdbqt | data/1U/1UP7-G6P/1UP7-G6P_decoy_scores.csv |
1U1C-BAU | data/1U/1U1C-BAU/1U1C-BAU_ligand.pdbqt | data/1U/1U1C-BAU/1U1C-BAU_target.pdbqt | data/1U/1U1C-BAU/1U1C-BAU_decoys.pdbqt | data/1U/1U1C-BAU/1U1C-BAU_decoy_scores.csv |
1UCC-U3P | data/1U/1UCC-U3P/1UCC-U3P_ligand.pdbqt | data/1U/1UCC-U3P/1UCC-U3P_target.pdbqt | data/1U/1UCC-U3P/1UCC-U3P_decoys.pdbqt | data/1U/1UCC-U3P/1UCC-U3P_decoy_scores.csv |
1UHO-VDN | data/1U/1UHO-VDN/1UHO-VDN_ligand.pdbqt | data/1U/1UHO-VDN/1UHO-VDN_target.pdbqt | data/1U/1UHO-VDN/1UHO-VDN_decoys.pdbqt | data/1U/1UHO-VDN/1UHO-VDN_decoy_scores.csv |
1UWN-HC4 | data/1U/1UWN-HC4/1UWN-HC4_ligand.pdbqt | data/1U/1UWN-HC4/1UWN-HC4_target.pdbqt | data/1U/1UWN-HC4/1UWN-HC4_decoys.pdbqt | data/1U/1UWN-HC4/1UWN-HC4_decoy_scores.csv |
1U21-P2C | data/1U/1U21-P2C/1U21-P2C_ligand.pdbqt | data/1U/1U21-P2C/1U21-P2C_target.pdbqt | data/1U/1U21-P2C/1U21-P2C_decoys.pdbqt | data/1U/1U21-P2C/1U21-P2C_decoy_scores.csv |
1UXI-NAD | data/1U/1UXI-NAD/1UXI-NAD_ligand.pdbqt | data/1U/1UXI-NAD/1UXI-NAD_target.pdbqt | data/1U/1UXI-NAD/1UXI-NAD_decoys.pdbqt | data/1U/1UXI-NAD/1UXI-NAD_decoy_scores.csv |
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