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 ⌀ |
|---|---|---|---|---|
3CKS-AZA | data/3C/3CKS-AZA/3CKS-AZA_ligand.pdbqt | data/3C/3CKS-AZA/3CKS-AZA_target.pdbqt | data/3C/3CKS-AZA/3CKS-AZA_decoys.pdbqt | data/3C/3CKS-AZA/3CKS-AZA_decoy_scores.csv |
3CLP-CMP | data/3C/3CLP-CMP/3CLP-CMP_ligand.pdbqt | data/3C/3CLP-CMP/3CLP-CMP_target.pdbqt | data/3C/3CLP-CMP/3CLP-CMP_decoys.pdbqt | data/3C/3CLP-CMP/3CLP-CMP_decoy_scores.csv |
3CYW-017 | data/3C/3CYW-017/3CYW-017_ligand.pdbqt | data/3C/3CYW-017/3CYW-017_target.pdbqt | data/3C/3CYW-017/3CYW-017_decoys.pdbqt | data/3C/3CYW-017/3CYW-017_decoy_scores.csv |
3CIF-NAD | data/3C/3CIF-NAD/3CIF-NAD_ligand.pdbqt | data/3C/3CIF-NAD/3CIF-NAD_target.pdbqt | data/3C/3CIF-NAD/3CIF-NAD_decoys.pdbqt | data/3C/3CIF-NAD/3CIF-NAD_decoy_scores.csv |
3CLA-CLM | data/3C/3CLA-CLM/3CLA-CLM_ligand.pdbqt | data/3C/3CLA-CLM/3CLA-CLM_target.pdbqt | data/3C/3CLA-CLM/3CLA-CLM_decoys.pdbqt | data/3C/3CLA-CLM/3CLA-CLM_decoy_scores.csv |
3CKN-UDP | data/3C/3CKN-UDP/3CKN-UDP_ligand.pdbqt | data/3C/3CKN-UDP/3CKN-UDP_target.pdbqt | data/3C/3CKN-UDP/3CKN-UDP_decoys.pdbqt | data/3C/3CKN-UDP/3CKN-UDP_decoy_scores.csv |
3CWJ-321 | data/3C/3CWJ-321/3CWJ-321_ligand.pdbqt | data/3C/3CWJ-321/3CWJ-321_target.pdbqt | data/3C/3CWJ-321/3CWJ-321_decoys.pdbqt | data/3C/3CWJ-321/3CWJ-321_decoy_scores.csv |
3CLT-AMP | data/3C/3CLT-AMP/3CLT-AMP_ligand.pdbqt | data/3C/3CLT-AMP/3CLT-AMP_target.pdbqt | data/3C/3CLT-AMP/3CLT-AMP_decoys.pdbqt | data/3C/3CLT-AMP/3CLT-AMP_decoy_scores.csv |
3CX6-GDP | data/3C/3CX6-GDP/3CX6-GDP_ligand.pdbqt | data/3C/3CX6-GDP/3CX6-GDP_target.pdbqt | data/3C/3CX6-GDP/3CX6-GDP_decoys.pdbqt | data/3C/3CX6-GDP/3CX6-GDP_decoy_scores.csv |
3CON-GDP | data/3C/3CON-GDP/3CON-GDP_ligand.pdbqt | data/3C/3CON-GDP/3CON-GDP_target.pdbqt | data/3C/3CON-GDP/3CON-GDP_decoys.pdbqt | data/3C/3CON-GDP/3CON-GDP_decoy_scores.csv |
3C2F-PRP | data/3C/3C2F-PRP/3C2F-PRP_ligand.pdbqt | data/3C/3C2F-PRP/3C2F-PRP_target.pdbqt | data/3C/3C2F-PRP/3C2F-PRP_decoys.pdbqt | data/3C/3C2F-PRP/3C2F-PRP_decoy_scores.csv |
3CNE-FMN | data/3C/3CNE-FMN/3CNE-FMN_ligand.pdbqt | data/3C/3CNE-FMN/3CNE-FMN_target.pdbqt | data/3C/3CNE-FMN/3CNE-FMN_decoys.pdbqt | data/3C/3CNE-FMN/3CNE-FMN_decoy_scores.csv |
3CZG-GLC | data/3C/3CZG-GLC/3CZG-GLC_ligand.pdbqt | data/3C/3CZG-GLC/3CZG-GLC_target.pdbqt | data/3C/3CZG-GLC/3CZG-GLC_decoys.pdbqt | data/3C/3CZG-GLC/3CZG-GLC_decoy_scores.csv |
3CJT-SAH | data/3C/3CJT-SAH/3CJT-SAH_ligand.pdbqt | data/3C/3CJT-SAH/3CJT-SAH_target.pdbqt | data/3C/3CJT-SAH/3CJT-SAH_decoys.pdbqt | data/3C/3CJT-SAH/3CJT-SAH_decoy_scores.csv |
3COZ-54H | data/3C/3COZ-54H/3COZ-54H_ligand.pdbqt | data/3C/3COZ-54H/3COZ-54H_target.pdbqt | data/3C/3COZ-54H/3COZ-54H_decoys.pdbqt | data/3C/3COZ-54H/3COZ-54H_decoy_scores.csv |
3CC1-P33 | data/3C/3CC1-P33/3CC1-P33_ligand.pdbqt | data/3C/3CC1-P33/3CC1-P33_target.pdbqt | data/3C/3CC1-P33/3CC1-P33_decoys.pdbqt | data/3C/3CC1-P33/3CC1-P33_decoy_scores.csv |
3CQO-FUC | data/3C/3CQO-FUC/3CQO-FUC_ligand.pdbqt | data/3C/3CQO-FUC/3CQO-FUC_target.pdbqt | data/3C/3CQO-FUC/3CQO-FUC_decoys.pdbqt | data/3C/3CQO-FUC/3CQO-FUC_decoy_scores.csv |
3CYI-ATP | data/3C/3CYI-ATP/3CYI-ATP_ligand.pdbqt | data/3C/3CYI-ATP/3CYI-ATP_target.pdbqt | data/3C/3CYI-ATP/3CYI-ATP_decoys.pdbqt | data/3C/3CYI-ATP/3CYI-ATP_decoy_scores.csv |
3CF8-BEN | data/3C/3CF8-BEN/3CF8-BEN_ligand.pdbqt | data/3C/3CF8-BEN/3CF8-BEN_target.pdbqt | data/3C/3CF8-BEN/3CF8-BEN_decoys.pdbqt | data/3C/3CF8-BEN/3CF8-BEN_decoy_scores.csv |
3CIW-SAH | data/3C/3CIW-SAH/3CIW-SAH_ligand.pdbqt | data/3C/3CIW-SAH/3CIW-SAH_target.pdbqt | data/3C/3CIW-SAH/3CIW-SAH_decoys.pdbqt | data/3C/3CIW-SAH/3CIW-SAH_decoy_scores.csv |
3CZD-GLU | data/3C/3CZD-GLU/3CZD-GLU_ligand.pdbqt | data/3C/3CZD-GLU/3CZD-GLU_target.pdbqt | data/3C/3CZD-GLU/3CZD-GLU_decoys.pdbqt | data/3C/3CZD-GLU/3CZD-GLU_decoy_scores.csv |
3CBF-N5F | data/3C/3CBF-N5F/3CBF-N5F_ligand.pdbqt | data/3C/3CBF-N5F/3CBF-N5F_target.pdbqt | data/3C/3CBF-N5F/3CBF-N5F_decoys.pdbqt | data/3C/3CBF-N5F/3CBF-N5F_decoy_scores.csv |
3CWE-825 | data/3C/3CWE-825/3CWE-825_ligand.pdbqt | data/3C/3CWE-825/3CWE-825_target.pdbqt | data/3C/3CWE-825/3CWE-825_decoys.pdbqt | data/3C/3CWE-825/3CWE-825_decoy_scores.csv |
3C4E-C4E | data/3C/3C4E-C4E/3C4E-C4E_ligand.pdbqt | data/3C/3C4E-C4E/3C4E-C4E_target.pdbqt | data/3C/3C4E-C4E/3C4E-C4E_decoys.pdbqt | data/3C/3C4E-C4E/3C4E-C4E_decoy_scores.csv |
3CE4-PMS | data/3C/3CE4-PMS/3CE4-PMS_ligand.pdbqt | data/3C/3CE4-PMS/3CE4-PMS_target.pdbqt | data/3C/3CE4-PMS/3CE4-PMS_decoys.pdbqt | data/3C/3CE4-PMS/3CE4-PMS_decoy_scores.csv |
3CJF-SAV | data/3C/3CJF-SAV/3CJF-SAV_ligand.pdbqt | data/3C/3CJF-SAV/3CJF-SAV_target.pdbqt | data/3C/3CJF-SAV/3CJF-SAV_decoys.pdbqt | data/3C/3CJF-SAV/3CJF-SAV_decoy_scores.csv |
3CTP-XLF | data/3C/3CTP-XLF/3CTP-XLF_ligand.pdbqt | data/3C/3CTP-XLF/3CTP-XLF_target.pdbqt | data/3C/3CTP-XLF/3CTP-XLF_decoys.pdbqt | data/3C/3CTP-XLF/3CTP-XLF_decoy_scores.csv |
3C2U-B3P | data/3C/3C2U-B3P/3C2U-B3P_ligand.pdbqt | data/3C/3C2U-B3P/3C2U-B3P_target.pdbqt | data/3C/3C2U-B3P/3C2U-B3P_decoys.pdbqt | data/3C/3C2U-B3P/3C2U-B3P_decoy_scores.csv |
3CIN-NAD | data/3C/3CIN-NAD/3CIN-NAD_ligand.pdbqt | data/3C/3CIN-NAD/3CIN-NAD_target.pdbqt | data/3C/3CIN-NAD/3CIN-NAD_decoys.pdbqt | data/3C/3CIN-NAD/3CIN-NAD_decoy_scores.csv |
3CXQ-GLP | data/3C/3CXQ-GLP/3CXQ-GLP_ligand.pdbqt | data/3C/3CXQ-GLP/3CXQ-GLP_target.pdbqt | data/3C/3CXQ-GLP/3CXQ-GLP_decoys.pdbqt | data/3C/3CXQ-GLP/3CXQ-GLP_decoy_scores.csv |
3C61-ORO | data/3C/3C61-ORO/3C61-ORO_ligand.pdbqt | data/3C/3C61-ORO/3C61-ORO_target.pdbqt | data/3C/3C61-ORO/3C61-ORO_decoys.pdbqt | data/3C/3C61-ORO/3C61-ORO_decoy_scores.csv |
3CZV-AZM | data/3C/3CZV-AZM/3CZV-AZM_ligand.pdbqt | data/3C/3CZV-AZM/3CZV-AZM_target.pdbqt | data/3C/3CZV-AZM/3CZV-AZM_decoys.pdbqt | data/3C/3CZV-AZM/3CZV-AZM_decoy_scores.csv |
3CD2-MTX | data/3C/3CD2-MTX/3CD2-MTX_ligand.pdbqt | data/3C/3CD2-MTX/3CD2-MTX_target.pdbqt | data/3C/3CD2-MTX/3CD2-MTX_decoys.pdbqt | data/3C/3CD2-MTX/3CD2-MTX_decoy_scores.csv |
3CMB-PE8 | data/3C/3CMB-PE8/3CMB-PE8_ligand.pdbqt | data/3C/3CMB-PE8/3CMB-PE8_target.pdbqt | data/3C/3CMB-PE8/3CMB-PE8_decoys.pdbqt | data/3C/3CMB-PE8/3CMB-PE8_decoy_scores.csv |
3CUU-376 | data/3C/3CUU-376/3CUU-376_ligand.pdbqt | data/3C/3CUU-376/3CUU-376_target.pdbqt | data/3C/3CUU-376/3CUU-376_decoys.pdbqt | data/3C/3CUU-376/3CUU-376_decoy_scores.csv |
3C3D-FO1 | data/3C/3C3D-FO1/3C3D-FO1_ligand.pdbqt | data/3C/3C3D-FO1/3C3D-FO1_target.pdbqt | data/3C/3C3D-FO1/3C3D-FO1_decoys.pdbqt | data/3C/3C3D-FO1/3C3D-FO1_decoy_scores.csv |
3C1Y-2BA | data/3C/3C1Y-2BA/3C1Y-2BA_ligand.pdbqt | data/3C/3C1Y-2BA/3C1Y-2BA_target.pdbqt | data/3C/3C1Y-2BA/3C1Y-2BA_decoys.pdbqt | data/3C/3C1Y-2BA/3C1Y-2BA_decoy_scores.csv |
3C6Q-XYP | data/3C/3C6Q-XYP/3C6Q-XYP_ligand.pdbqt | data/3C/3C6Q-XYP/3C6Q-XYP_target.pdbqt | data/3C/3C6Q-XYP/3C6Q-XYP_decoys.pdbqt | data/3C/3C6Q-XYP/3C6Q-XYP_decoy_scores.csv |
3COP-ADP | data/3C/3COP-ADP/3COP-ADP_ligand.pdbqt | data/3C/3COP-ADP/3COP-ADP_target.pdbqt | data/3C/3COP-ADP/3COP-ADP_decoys.pdbqt | data/3C/3COP-ADP/3COP-ADP_decoy_scores.csv |
3CF8-QUE | data/3C/3CF8-QUE/3CF8-QUE_ligand.pdbqt | data/3C/3CF8-QUE/3CF8-QUE_target.pdbqt | data/3C/3CF8-QUE/3CF8-QUE_decoys.pdbqt | data/3C/3CF8-QUE/3CF8-QUE_decoy_scores.csv |
3CR0-809 | data/3C/3CR0-809/3CR0-809_ligand.pdbqt | data/3C/3CR0-809/3CR0-809_target.pdbqt | data/3C/3CR0-809/3CR0-809_decoys.pdbqt | data/3C/3CR0-809/3CR0-809_decoy_scores.csv |
3CQE-P91 | data/3C/3CQE-P91/3CQE-P91_ligand.pdbqt | data/3C/3CQE-P91/3CQE-P91_target.pdbqt | data/3C/3CQE-P91/3CQE-P91_decoys.pdbqt | data/3C/3CQE-P91/3CQE-P91_decoy_scores.csv |
3CP4-ADM | data/3C/3CP4-ADM/3CP4-ADM_ligand.pdbqt | data/3C/3CP4-ADM/3CP4-ADM_target.pdbqt | data/3C/3CP4-ADM/3CP4-ADM_decoys.pdbqt | data/3C/3CP4-ADM/3CP4-ADM_decoy_scores.csv |
3CI5-ATP | data/3C/3CI5-ATP/3CI5-ATP_ligand.pdbqt | data/3C/3CI5-ATP/3CI5-ATP_target.pdbqt | data/3C/3CI5-ATP/3CI5-ATP_decoys.pdbqt | data/3C/3CI5-ATP/3CI5-ATP_decoy_scores.csv |
3CX7-GDP | data/3C/3CX7-GDP/3CX7-GDP_ligand.pdbqt | data/3C/3CX7-GDP/3CX7-GDP_target.pdbqt | null | null |
3CUT-179 | data/3C/3CUT-179/3CUT-179_ligand.pdbqt | data/3C/3CUT-179/3CUT-179_target.pdbqt | data/3C/3CUT-179/3CUT-179_decoys.pdbqt | data/3C/3CUT-179/3CUT-179_decoy_scores.csv |
3CPA-TYR | data/3C/3CPA-TYR/3CPA-TYR_ligand.pdbqt | data/3C/3CPA-TYR/3CPA-TYR_target.pdbqt | data/3C/3CPA-TYR/3CPA-TYR_decoys.pdbqt | data/3C/3CPA-TYR/3CPA-TYR_decoy_scores.csv |
3C4Z-ADP | data/3C/3C4Z-ADP/3C4Z-ADP_ligand.pdbqt | data/3C/3C4Z-ADP/3C4Z-ADP_target.pdbqt | data/3C/3C4Z-ADP/3C4Z-ADP_decoys.pdbqt | data/3C/3C4Z-ADP/3C4Z-ADP_decoy_scores.csv |
3C0G-3AM | data/3C/3C0G-3AM/3C0G-3AM_ligand.pdbqt | data/3C/3C0G-3AM/3C0G-3AM_target.pdbqt | data/3C/3C0G-3AM/3C0G-3AM_decoys.pdbqt | data/3C/3C0G-3AM/3C0G-3AM_decoy_scores.csv |
3CN4-LJ5 | data/3C/3CN4-LJ5/3CN4-LJ5_ligand.pdbqt | data/3C/3CN4-LJ5/3CN4-LJ5_target.pdbqt | data/3C/3CN4-LJ5/3CN4-LJ5_decoys.pdbqt | data/3C/3CN4-LJ5/3CN4-LJ5_decoy_scores.csv |
3CZR-3CZ | data/3C/3CZR-3CZ/3CZR-3CZ_ligand.pdbqt | data/3C/3CZR-3CZ/3CZR-3CZ_target.pdbqt | data/3C/3CZR-3CZ/3CZR-3CZ_decoys.pdbqt | data/3C/3CZR-3CZ/3CZR-3CZ_decoy_scores.csv |
3C23-3AT | data/3C/3C23-3AT/3C23-3AT_ligand.pdbqt | data/3C/3C23-3AT/3C23-3AT_target.pdbqt | data/3C/3C23-3AT/3C23-3AT_decoys.pdbqt | data/3C/3C23-3AT/3C23-3AT_decoy_scores.csv |
3CLV-GDP | data/3C/3CLV-GDP/3CLV-GDP_ligand.pdbqt | data/3C/3CLV-GDP/3CLV-GDP_target.pdbqt | data/3C/3CLV-GDP/3CLV-GDP_decoys.pdbqt | data/3C/3CLV-GDP/3CLV-GDP_decoy_scores.csv |
3CMF-PDN | data/3C/3CMF-PDN/3CMF-PDN_ligand.pdbqt | data/3C/3CMF-PDN/3CMF-PDN_target.pdbqt | data/3C/3CMF-PDN/3CMF-PDN_decoys.pdbqt | data/3C/3CMF-PDN/3CMF-PDN_decoy_scores.csv |
3C1X-CKK | data/3C/3C1X-CKK/3C1X-CKK_ligand.pdbqt | data/3C/3C1X-CKK/3C1X-CKK_target.pdbqt | data/3C/3C1X-CKK/3C1X-CKK_decoys.pdbqt | data/3C/3C1X-CKK/3C1X-CKK_decoy_scores.csv |
3CPP-CAM | data/3C/3CPP-CAM/3CPP-CAM_ligand.pdbqt | data/3C/3CPP-CAM/3CPP-CAM_target.pdbqt | data/3C/3CPP-CAM/3CPP-CAM_decoys.pdbqt | data/3C/3CPP-CAM/3CPP-CAM_decoy_scores.csv |
3CDE-N3H | data/3C/3CDE-N3H/3CDE-N3H_ligand.pdbqt | data/3C/3CDE-N3H/3CDE-N3H_target.pdbqt | data/3C/3CDE-N3H/3CDE-N3H_decoys.pdbqt | data/3C/3CDE-N3H/3CDE-N3H_decoy_scores.csv |
3CV6-HXS | data/3C/3CV6-HXS/3CV6-HXS_ligand.pdbqt | data/3C/3CV6-HXS/3CV6-HXS_target.pdbqt | data/3C/3CV6-HXS/3CV6-HXS_decoys.pdbqt | data/3C/3CV6-HXS/3CV6-HXS_decoy_scores.csv |
3CNL-GNP | data/3C/3CNL-GNP/3CNL-GNP_ligand.pdbqt | data/3C/3CNL-GNP/3CNL-GNP_target.pdbqt | data/3C/3CNL-GNP/3CNL-GNP_decoys.pdbqt | data/3C/3CNL-GNP/3CNL-GNP_decoy_scores.csv |
3CCZ-5HI | data/3C/3CCZ-5HI/3CCZ-5HI_ligand.pdbqt | data/3C/3CCZ-5HI/3CCZ-5HI_target.pdbqt | data/3C/3CCZ-5HI/3CCZ-5HI_decoys.pdbqt | data/3C/3CCZ-5HI/3CCZ-5HI_decoy_scores.csv |
3C74-ANU | data/3C/3C74-ANU/3C74-ANU_ligand.pdbqt | data/3C/3C74-ANU/3C74-ANU_target.pdbqt | data/3C/3C74-ANU/3C74-ANU_decoys.pdbqt | data/3C/3C74-ANU/3C74-ANU_decoy_scores.csv |
3CHC-ZRG | data/3C/3CHC-ZRG/3CHC-ZRG_ligand.pdbqt | data/3C/3CHC-ZRG/3CHC-ZRG_target.pdbqt | data/3C/3CHC-ZRG/3CHC-ZRG_decoys.pdbqt | data/3C/3CHC-ZRG/3CHC-ZRG_decoy_scores.csv |
3CG5-ISS | data/3C/3CG5-ISS/3CG5-ISS_ligand.pdbqt | data/3C/3CG5-ISS/3CG5-ISS_target.pdbqt | data/3C/3CG5-ISS/3CG5-ISS_decoys.pdbqt | data/3C/3CG5-ISS/3CG5-ISS_decoy_scores.csv |
3CI6-P4G | data/3C/3CI6-P4G/3CI6-P4G_ligand.pdbqt | data/3C/3CI6-P4G/3CI6-P4G_target.pdbqt | data/3C/3CI6-P4G/3CI6-P4G_decoys.pdbqt | data/3C/3CI6-P4G/3CI6-P4G_decoy_scores.csv |
3CYZ-9OD | data/3C/3CYZ-9OD/3CYZ-9OD_ligand.pdbqt | data/3C/3CYZ-9OD/3CYZ-9OD_target.pdbqt | data/3C/3CYZ-9OD/3CYZ-9OD_decoys.pdbqt | data/3C/3CYZ-9OD/3CYZ-9OD_decoy_scores.csv |
3CBM-SAH | data/3C/3CBM-SAH/3CBM-SAH_ligand.pdbqt | data/3C/3CBM-SAH/3CBM-SAH_target.pdbqt | data/3C/3CBM-SAH/3CBM-SAH_decoys.pdbqt | data/3C/3CBM-SAH/3CBM-SAH_decoy_scores.csv |
3CIX-SAH | data/3C/3CIX-SAH/3CIX-SAH_ligand.pdbqt | data/3C/3CIX-SAH/3CIX-SAH_target.pdbqt | data/3C/3CIX-SAH/3CIX-SAH_decoys.pdbqt | data/3C/3CIX-SAH/3CIX-SAH_decoy_scores.csv |
3CKZ-ZMR | data/3C/3CKZ-ZMR/3CKZ-ZMR_ligand.pdbqt | data/3C/3CKZ-ZMR/3CKZ-ZMR_target.pdbqt | data/3C/3CKZ-ZMR/3CKZ-ZMR_decoys.pdbqt | data/3C/3CKZ-ZMR/3CKZ-ZMR_decoy_scores.csv |
3CJD-STE | data/3C/3CJD-STE/3CJD-STE_ligand.pdbqt | data/3C/3CJD-STE/3CJD-STE_target.pdbqt | data/3C/3CJD-STE/3CJD-STE_decoys.pdbqt | data/3C/3CJD-STE/3CJD-STE_decoy_scores.csv |
3CMQ-FA5 | data/3C/3CMQ-FA5/3CMQ-FA5_ligand.pdbqt | data/3C/3CMQ-FA5/3CMQ-FA5_target.pdbqt | data/3C/3CMQ-FA5/3CMQ-FA5_decoys.pdbqt | data/3C/3CMQ-FA5/3CMQ-FA5_decoy_scores.csv |
3CTR-MGP | data/3C/3CTR-MGP/3CTR-MGP_ligand.pdbqt | data/3C/3CTR-MGP/3CTR-MGP_target.pdbqt | data/3C/3CTR-MGP/3CTR-MGP_decoys.pdbqt | data/3C/3CTR-MGP/3CTR-MGP_decoy_scores.csv |
3CBP-SFG | data/3C/3CBP-SFG/3CBP-SFG_ligand.pdbqt | data/3C/3CBP-SFG/3CBP-SFG_target.pdbqt | data/3C/3CBP-SFG/3CBP-SFG_decoys.pdbqt | data/3C/3CBP-SFG/3CBP-SFG_decoy_scores.csv |
3C4N-ADP | data/3C/3C4N-ADP/3C4N-ADP_ligand.pdbqt | data/3C/3C4N-ADP/3C4N-ADP_target.pdbqt | data/3C/3C4N-ADP/3C4N-ADP_decoys.pdbqt | data/3C/3C4N-ADP/3C4N-ADP_decoy_scores.csv |
3CEP-G3P | data/3C/3CEP-G3P/3CEP-G3P_ligand.pdbqt | data/3C/3CEP-G3P/3CEP-G3P_target.pdbqt | null | null |
3CKT-YDP | data/3C/3CKT-YDP/3CKT-YDP_ligand.pdbqt | data/3C/3CKT-YDP/3CKT-YDP_target.pdbqt | data/3C/3CKT-YDP/3CKT-YDP_decoys.pdbqt | data/3C/3CKT-YDP/3CKT-YDP_decoy_scores.csv |
3CN1-LJ2 | data/3C/3CN1-LJ2/3CN1-LJ2_ligand.pdbqt | data/3C/3CN1-LJ2/3CN1-LJ2_target.pdbqt | data/3C/3CN1-LJ2/3CN1-LJ2_decoys.pdbqt | data/3C/3CN1-LJ2/3CN1-LJ2_decoy_scores.csv |
3CL0-G39 | data/3C/3CL0-G39/3CL0-G39_ligand.pdbqt | data/3C/3CL0-G39/3CL0-G39_target.pdbqt | data/3C/3CL0-G39/3CL0-G39_decoys.pdbqt | data/3C/3CL0-G39/3CL0-G39_decoy_scores.csv |
3COP-250 | data/3C/3COP-250/3COP-250_ligand.pdbqt | data/3C/3COP-250/3COP-250_target.pdbqt | data/3C/3COP-250/3COP-250_decoys.pdbqt | data/3C/3COP-250/3COP-250_decoy_scores.csv |
3CB3-LGT | data/3C/3CB3-LGT/3CB3-LGT_ligand.pdbqt | data/3C/3CB3-LGT/3CB3-LGT_target.pdbqt | data/3C/3CB3-LGT/3CB3-LGT_decoys.pdbqt | data/3C/3CB3-LGT/3CB3-LGT_decoy_scores.csv |
3C0H-AMP | data/3C/3C0H-AMP/3C0H-AMP_ligand.pdbqt | data/3C/3C0H-AMP/3C0H-AMP_target.pdbqt | data/3C/3C0H-AMP/3C0H-AMP_decoys.pdbqt | data/3C/3C0H-AMP/3C0H-AMP_decoy_scores.csv |
3CXW-7CP | data/3C/3CXW-7CP/3CXW-7CP_ligand.pdbqt | data/3C/3CXW-7CP/3CXW-7CP_target.pdbqt | data/3C/3CXW-7CP/3CXW-7CP_decoys.pdbqt | data/3C/3CXW-7CP/3CXW-7CP_decoy_scores.csv |
3CD8-L5G | data/3C/3CD8-L5G/3CD8-L5G_ligand.pdbqt | data/3C/3CD8-L5G/3CD8-L5G_target.pdbqt | data/3C/3CD8-L5G/3CD8-L5G_decoys.pdbqt | data/3C/3CD8-L5G/3CD8-L5G_decoy_scores.csv |
3CBO-SAH | data/3C/3CBO-SAH/3CBO-SAH_ligand.pdbqt | data/3C/3CBO-SAH/3CBO-SAH_target.pdbqt | data/3C/3CBO-SAH/3CBO-SAH_decoys.pdbqt | data/3C/3CBO-SAH/3CBO-SAH_decoy_scores.csv |
3C3C-3PG | data/3C/3C3C-3PG/3C3C-3PG_ligand.pdbqt | data/3C/3C3C-3PG/3C3C-3PG_target.pdbqt | data/3C/3C3C-3PG/3C3C-3PG_decoys.pdbqt | data/3C/3C3C-3PG/3C3C-3PG_decoy_scores.csv |
3CNX-PG6 | data/3C/3CNX-PG6/3CNX-PG6_ligand.pdbqt | data/3C/3CNX-PG6/3CNX-PG6_target.pdbqt | data/3C/3CNX-PG6/3CNX-PG6_decoys.pdbqt | data/3C/3CNX-PG6/3CNX-PG6_decoy_scores.csv |
3CH9-XRG | data/3C/3CH9-XRG/3CH9-XRG_ligand.pdbqt | data/3C/3CH9-XRG/3CH9-XRG_target.pdbqt | data/3C/3CH9-XRG/3CH9-XRG_decoys.pdbqt | data/3C/3CH9-XRG/3CH9-XRG_decoy_scores.csv |
3CKK-SAM | data/3C/3CKK-SAM/3CKK-SAM_ligand.pdbqt | data/3C/3CKK-SAM/3CKK-SAM_target.pdbqt | data/3C/3CKK-SAM/3CKK-SAM_decoys.pdbqt | data/3C/3CKK-SAM/3CKK-SAM_decoy_scores.csv |
3CAK-BTB | data/3C/3CAK-BTB/3CAK-BTB_ligand.pdbqt | data/3C/3CAK-BTB/3CAK-BTB_target.pdbqt | data/3C/3CAK-BTB/3CAK-BTB_decoys.pdbqt | data/3C/3CAK-BTB/3CAK-BTB_decoy_scores.csv |
3CQW-CQW | data/3C/3CQW-CQW/3CQW-CQW_ligand.pdbqt | data/3C/3CQW-CQW/3CQW-CQW_target.pdbqt | data/3C/3CQW-CQW/3CQW-CQW_decoys.pdbqt | data/3C/3CQW-CQW/3CQW-CQW_decoy_scores.csv |
3CW8-00A | data/3C/3CW8-00A/3CW8-00A_ligand.pdbqt | data/3C/3CW8-00A/3CW8-00A_target.pdbqt | data/3C/3CW8-00A/3CW8-00A_decoys.pdbqt | data/3C/3CW8-00A/3CW8-00A_decoy_scores.csv |
3CHW-ATP | data/3C/3CHW-ATP/3CHW-ATP_ligand.pdbqt | data/3C/3CHW-ATP/3CHW-ATP_target.pdbqt | data/3C/3CHW-ATP/3CHW-ATP_decoys.pdbqt | data/3C/3CHW-ATP/3CHW-ATP_decoy_scores.csv |
3CJ2-SX3 | data/3C/3CJ2-SX3/3CJ2-SX3_ligand.pdbqt | data/3C/3CJ2-SX3/3CJ2-SX3_target.pdbqt | data/3C/3CJ2-SX3/3CJ2-SX3_decoys.pdbqt | data/3C/3CJ2-SX3/3CJ2-SX3_decoy_scores.csv |
3CLR-AMP | data/3C/3CLR-AMP/3CLR-AMP_ligand.pdbqt | data/3C/3CLR-AMP/3CLR-AMP_target.pdbqt | data/3C/3CLR-AMP/3CLR-AMP_decoys.pdbqt | data/3C/3CLR-AMP/3CLR-AMP_decoy_scores.csv |
3C3A-3PG | data/3C/3C3A-3PG/3C3A-3PG_ligand.pdbqt | data/3C/3C3A-3PG/3C3A-3PG_target.pdbqt | data/3C/3C3A-3PG/3C3A-3PG_decoys.pdbqt | data/3C/3C3A-3PG/3C3A-3PG_decoy_scores.csv |
3C41-ANP | data/3C/3C41-ANP/3C41-ANP_ligand.pdbqt | data/3C/3C41-ANP/3C41-ANP_target.pdbqt | data/3C/3C41-ANP/3C41-ANP_decoys.pdbqt | data/3C/3C41-ANP/3C41-ANP_decoy_scores.csv |
3C2Y-S60 | data/3C/3C2Y-S60/3C2Y-S60_ligand.pdbqt | data/3C/3C2Y-S60/3C2Y-S60_target.pdbqt | data/3C/3C2Y-S60/3C2Y-S60_decoys.pdbqt | data/3C/3C2Y-S60/3C2Y-S60_decoy_scores.csv |
3C2V-PHT | data/3C/3C2V-PHT/3C2V-PHT_ligand.pdbqt | data/3C/3C2V-PHT/3C2V-PHT_target.pdbqt | data/3C/3C2V-PHT/3C2V-PHT_decoys.pdbqt | data/3C/3C2V-PHT/3C2V-PHT_decoy_scores.csv |
3CBC-DBS | data/3C/3CBC-DBS/3CBC-DBS_ligand.pdbqt | data/3C/3CBC-DBS/3CBC-DBS_target.pdbqt | data/3C/3CBC-DBS/3CBC-DBS_decoys.pdbqt | data/3C/3CBC-DBS/3CBC-DBS_decoy_scores.csv |
3CHP-4BO | data/3C/3CHP-4BO/3CHP-4BO_ligand.pdbqt | data/3C/3CHP-4BO/3CHP-4BO_target.pdbqt | null | null |
3C2R-PHT | data/3C/3C2R-PHT/3C2R-PHT_ligand.pdbqt | data/3C/3C2R-PHT/3C2R-PHT_target.pdbqt | data/3C/3C2R-PHT/3C2R-PHT_decoys.pdbqt | data/3C/3C2R-PHT/3C2R-PHT_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.