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 ⌀ |
|---|---|---|---|---|
6UUY-BCN | data/6U/6UUY-BCN/6UUY-BCN_ligand.pdbqt | data/6U/6UUY-BCN/6UUY-BCN_target.pdbqt | data/6U/6UUY-BCN/6UUY-BCN_decoys.pdbqt | data/6U/6UUY-BCN/6UUY-BCN_decoy_scores.csv |
6UC3-BTN | data/6U/6UC3-BTN/6UC3-BTN_ligand.pdbqt | data/6U/6UC3-BTN/6UC3-BTN_target.pdbqt | data/6U/6UC3-BTN/6UC3-BTN_decoys.pdbqt | data/6U/6UC3-BTN/6UC3-BTN_decoy_scores.csv |
6UO4-TSN | data/6U/6UO4-TSN/6UO4-TSN_ligand.pdbqt | data/6U/6UO4-TSN/6UO4-TSN_target.pdbqt | data/6U/6UO4-TSN/6UO4-TSN_decoys.pdbqt | data/6U/6UO4-TSN/6UO4-TSN_decoy_scores.csv |
6UL9-Q9M | data/6U/6UL9-Q9M/6UL9-Q9M_ligand.pdbqt | data/6U/6UL9-Q9M/6UL9-Q9M_target.pdbqt | data/6U/6UL9-Q9M/6UL9-Q9M_decoys.pdbqt | data/6U/6UL9-Q9M/6UL9-Q9M_decoy_scores.csv |
6U45-GCP | data/6U/6U45-GCP/6U45-GCP_ligand.pdbqt | data/6U/6U45-GCP/6U45-GCP_target.pdbqt | data/6U/6U45-GCP/6U45-GCP_decoys.pdbqt | data/6U/6U45-GCP/6U45-GCP_decoy_scores.csv |
6URC-QFV | data/6U/6URC-QFV/6URC-QFV_ligand.pdbqt | data/6U/6URC-QFV/6URC-QFV_target.pdbqt | data/6U/6URC-QFV/6URC-QFV_decoys.pdbqt | data/6U/6URC-QFV/6URC-QFV_decoy_scores.csv |
6U4R-9KL | data/6U/6U4R-9KL/6U4R-9KL_ligand.pdbqt | data/6U/6U4R-9KL/6U4R-9KL_target.pdbqt | data/6U/6U4R-9KL/6U4R-9KL_decoys.pdbqt | data/6U/6U4R-9KL/6U4R-9KL_decoy_scores.csv |
6UZW-QM4 | data/6U/6UZW-QM4/6UZW-QM4_ligand.pdbqt | data/6U/6UZW-QM4/6UZW-QM4_target.pdbqt | data/6U/6UZW-QM4/6UZW-QM4_decoys.pdbqt | data/6U/6UZW-QM4/6UZW-QM4_decoy_scores.csv |
6U1G-ATP | data/6U/6U1G-ATP/6U1G-ATP_ligand.pdbqt | data/6U/6U1G-ATP/6U1G-ATP_target.pdbqt | null | null |
6USV-QGP | data/6U/6USV-QGP/6USV-QGP_ligand.pdbqt | data/6U/6USV-QGP/6USV-QGP_target.pdbqt | data/6U/6USV-QGP/6USV-QGP_decoys.pdbqt | data/6U/6USV-QGP/6USV-QGP_decoy_scores.csv |
6UQV-P6G | data/6U/6UQV-P6G/6UQV-P6G_ligand.pdbqt | data/6U/6UQV-P6G/6UQV-P6G_target.pdbqt | data/6U/6UQV-P6G/6UQV-P6G_decoys.pdbqt | data/6U/6UQV-P6G/6UQV-P6G_decoy_scores.csv |
6U2X-NAD | data/6U/6U2X-NAD/6U2X-NAD_ligand.pdbqt | data/6U/6U2X-NAD/6U2X-NAD_target.pdbqt | data/6U/6U2X-NAD/6U2X-NAD_decoys.pdbqt | data/6U/6U2X-NAD/6U2X-NAD_decoy_scores.csv |
6UXI-PLG | data/6U/6UXI-PLG/6UXI-PLG_ligand.pdbqt | data/6U/6UXI-PLG/6UXI-PLG_target.pdbqt | data/6U/6UXI-PLG/6UXI-PLG_decoys.pdbqt | data/6U/6UXI-PLG/6UXI-PLG_decoy_scores.csv |
6UGZ-Q71 | data/6U/6UGZ-Q71/6UGZ-Q71_ligand.pdbqt | data/6U/6UGZ-Q71/6UGZ-Q71_target.pdbqt | data/6U/6UGZ-Q71/6UGZ-Q71_decoys.pdbqt | data/6U/6UGZ-Q71/6UGZ-Q71_decoy_scores.csv |
6UG0-HCA | data/6U/6UG0-HCA/6UG0-HCA_ligand.pdbqt | data/6U/6UG0-HCA/6UG0-HCA_target.pdbqt | null | null |
6UUX-A3P | data/6U/6UUX-A3P/6UUX-A3P_ligand.pdbqt | data/6U/6UUX-A3P/6UUX-A3P_target.pdbqt | null | null |
6UH2-NAD | data/6U/6UH2-NAD/6UH2-NAD_ligand.pdbqt | data/6U/6UH2-NAD/6UH2-NAD_target.pdbqt | data/6U/6UH2-NAD/6UH2-NAD_decoys.pdbqt | data/6U/6UH2-NAD/6UH2-NAD_decoy_scores.csv |
6UO3-QCP | data/6U/6UO3-QCP/6UO3-QCP_ligand.pdbqt | data/6U/6UO3-QCP/6UO3-QCP_target.pdbqt | data/6U/6UO3-QCP/6UO3-QCP_decoys.pdbqt | data/6U/6UO3-QCP/6UO3-QCP_decoy_scores.csv |
6UFX-Q6S | data/6U/6UFX-Q6S/6UFX-Q6S_ligand.pdbqt | data/6U/6UFX-Q6S/6UFX-Q6S_target.pdbqt | data/6U/6UFX-Q6S/6UFX-Q6S_decoys.pdbqt | data/6U/6UFX-Q6S/6UFX-Q6S_decoy_scores.csv |
6U6C-PZV | data/6U/6U6C-PZV/6U6C-PZV_ligand.pdbqt | data/6U/6U6C-PZV/6U6C-PZV_target.pdbqt | data/6U/6U6C-PZV/6U6C-PZV_decoys.pdbqt | data/6U/6U6C-PZV/6U6C-PZV_decoy_scores.csv |
6UM8-QCG | data/6U/6UM8-QCG/6UM8-QCG_ligand.pdbqt | data/6U/6UM8-QCG/6UM8-QCG_target.pdbqt | data/6U/6UM8-QCG/6UM8-QCG_decoys.pdbqt | data/6U/6UM8-QCG/6UM8-QCG_decoy_scores.csv |
6UK3-NAD | data/6U/6UK3-NAD/6UK3-NAD_ligand.pdbqt | data/6U/6UK3-NAD/6UK3-NAD_target.pdbqt | data/6U/6UK3-NAD/6UK3-NAD_decoys.pdbqt | data/6U/6UK3-NAD/6UK3-NAD_decoy_scores.csv |
6ULL-RWI | data/6U/6ULL-RWI/6ULL-RWI_ligand.pdbqt | data/6U/6ULL-RWI/6ULL-RWI_target.pdbqt | data/6U/6ULL-RWI/6ULL-RWI_decoys.pdbqt | data/6U/6ULL-RWI/6ULL-RWI_decoy_scores.csv |
1YV3-ADP | data/1Y/1YV3-ADP/1YV3-ADP_ligand.pdbqt | data/1Y/1YV3-ADP/1YV3-ADP_target.pdbqt | null | null |
1YBH-CIE | data/1Y/1YBH-CIE/1YBH-CIE_ligand.pdbqt | data/1Y/1YBH-CIE/1YBH-CIE_target.pdbqt | data/1Y/1YBH-CIE/1YBH-CIE_decoys.pdbqt | data/1Y/1YBH-CIE/1YBH-CIE_decoy_scores.csv |
1YDA-AZM | data/1Y/1YDA-AZM/1YDA-AZM_ligand.pdbqt | data/1Y/1YDA-AZM/1YDA-AZM_target.pdbqt | data/1Y/1YDA-AZM/1YDA-AZM_decoys.pdbqt | data/1Y/1YDA-AZM/1YDA-AZM_decoy_scores.csv |
1YAG-ATP | data/1Y/1YAG-ATP/1YAG-ATP_ligand.pdbqt | data/1Y/1YAG-ATP/1YAG-ATP_target.pdbqt | data/1Y/1YAG-ATP/1YAG-ATP_decoys.pdbqt | data/1Y/1YAG-ATP/1YAG-ATP_decoy_scores.csv |
1Y5N-PCI | data/1Y/1Y5N-PCI/1Y5N-PCI_ligand.pdbqt | data/1Y/1Y5N-PCI/1Y5N-PCI_target.pdbqt | data/1Y/1Y5N-PCI/1Y5N-PCI_decoys.pdbqt | data/1Y/1Y5N-PCI/1Y5N-PCI_decoy_scores.csv |
1YQJ-6NP | data/1Y/1YQJ-6NP/1YQJ-6NP_ligand.pdbqt | data/1Y/1YQJ-6NP/1YQJ-6NP_target.pdbqt | data/1Y/1YQJ-6NP/1YQJ-6NP_decoys.pdbqt | data/1Y/1YQJ-6NP/1YQJ-6NP_decoy_scores.csv |
1YNU-PY4 | data/1Y/1YNU-PY4/1YNU-PY4_ligand.pdbqt | data/1Y/1YNU-PY4/1YNU-PY4_target.pdbqt | data/1Y/1YNU-PY4/1YNU-PY4_decoys.pdbqt | data/1Y/1YNU-PY4/1YNU-PY4_decoy_scores.csv |
1YXQ-ATP | data/1Y/1YXQ-ATP/1YXQ-ATP_ligand.pdbqt | data/1Y/1YXQ-ATP/1YXQ-ATP_target.pdbqt | data/1Y/1YXQ-ATP/1YXQ-ATP_decoys.pdbqt | data/1Y/1YXQ-ATP/1YXQ-ATP_decoy_scores.csv |
1YRX-FMN | data/1Y/1YRX-FMN/1YRX-FMN_ligand.pdbqt | data/1Y/1YRX-FMN/1YRX-FMN_target.pdbqt | data/1Y/1YRX-FMN/1YRX-FMN_decoys.pdbqt | data/1Y/1YRX-FMN/1YRX-FMN_decoy_scores.csv |
1YVM-TMG | data/1Y/1YVM-TMG/1YVM-TMG_ligand.pdbqt | data/1Y/1YVM-TMG/1YVM-TMG_target.pdbqt | data/1Y/1YVM-TMG/1YVM-TMG_decoys.pdbqt | data/1Y/1YVM-TMG/1YVM-TMG_decoy_scores.csv |
1YXW-TYR | data/1Y/1YXW-TYR/1YXW-TYR_ligand.pdbqt | data/1Y/1YXW-TYR/1YXW-TYR_target.pdbqt | data/1Y/1YXW-TYR/1YXW-TYR_decoys.pdbqt | data/1Y/1YXW-TYR/1YXW-TYR_decoy_scores.csv |
1YXI-F6P | data/1Y/1YXI-F6P/1YXI-F6P_ligand.pdbqt | data/1Y/1YXI-F6P/1YXI-F6P_target.pdbqt | data/1Y/1YXI-F6P/1YXI-F6P_decoys.pdbqt | data/1Y/1YXI-F6P/1YXI-F6P_decoy_scores.csv |
1YLH-DT3 | data/1Y/1YLH-DT3/1YLH-DT3_ligand.pdbqt | data/1Y/1YLH-DT3/1YLH-DT3_target.pdbqt | data/1Y/1YLH-DT3/1YLH-DT3_decoys.pdbqt | data/1Y/1YLH-DT3/1YLH-DT3_decoy_scores.csv |
1Y2D-B3P | data/1Y/1Y2D-B3P/1Y2D-B3P_ligand.pdbqt | data/1Y/1Y2D-B3P/1Y2D-B3P_target.pdbqt | data/1Y/1Y2D-B3P/1Y2D-B3P_decoys.pdbqt | data/1Y/1Y2D-B3P/1Y2D-B3P_decoy_scores.csv |
1Y5I-AGA | data/1Y/1Y5I-AGA/1Y5I-AGA_ligand.pdbqt | data/1Y/1Y5I-AGA/1Y5I-AGA_target.pdbqt | null | null |
1YQS-BSA | data/1Y/1YQS-BSA/1YQS-BSA_ligand.pdbqt | data/1Y/1YQS-BSA/1YQS-BSA_target.pdbqt | data/1Y/1YQS-BSA/1YQS-BSA_decoys.pdbqt | data/1Y/1YQS-BSA/1YQS-BSA_decoy_scores.csv |
1Y2D-4DE | data/1Y/1Y2D-4DE/1Y2D-4DE_ligand.pdbqt | data/1Y/1Y2D-4DE/1Y2D-4DE_target.pdbqt | data/1Y/1Y2D-4DE/1Y2D-4DE_decoys.pdbqt | data/1Y/1Y2D-4DE/1Y2D-4DE_decoy_scores.csv |
1Y8O-ADP | data/1Y/1Y8O-ADP/1Y8O-ADP_ligand.pdbqt | data/1Y/1Y8O-ADP/1Y8O-ADP_target.pdbqt | data/1Y/1Y8O-ADP/1Y8O-ADP_decoys.pdbqt | data/1Y/1Y8O-ADP/1Y8O-ADP_decoy_scores.csv |
1Y2K-7DE | data/1Y/1Y2K-7DE/1Y2K-7DE_ligand.pdbqt | data/1Y/1Y2K-7DE/1Y2K-7DE_target.pdbqt | data/1Y/1Y2K-7DE/1Y2K-7DE_decoys.pdbqt | data/1Y/1Y2K-7DE/1Y2K-7DE_decoy_scores.csv |
1YAK-HMH | data/1Y/1YAK-HMH/1YAK-HMH_ligand.pdbqt | data/1Y/1YAK-HMH/1YAK-HMH_target.pdbqt | data/1Y/1YAK-HMH/1YAK-HMH_decoys.pdbqt | data/1Y/1YAK-HMH/1YAK-HMH_decoy_scores.csv |
1YZQ-GNP | data/1Y/1YZQ-GNP/1YZQ-GNP_ligand.pdbqt | data/1Y/1YZQ-GNP/1YZQ-GNP_target.pdbqt | data/1Y/1YZQ-GNP/1YZQ-GNP_decoys.pdbqt | data/1Y/1YZQ-GNP/1YZQ-GNP_decoy_scores.csv |
1Y9T-HHG | data/1Y/1Y9T-HHG/1Y9T-HHG_ligand.pdbqt | data/1Y/1Y9T-HHG/1Y9T-HHG_target.pdbqt | data/1Y/1Y9T-HHG/1Y9T-HHG_decoys.pdbqt | data/1Y/1Y9T-HHG/1Y9T-HHG_decoy_scores.csv |
1YC2-APR | data/1Y/1YC2-APR/1YC2-APR_ligand.pdbqt | data/1Y/1YC2-APR/1YC2-APR_target.pdbqt | data/1Y/1YC2-APR/1YC2-APR_decoys.pdbqt | data/1Y/1YC2-APR/1YC2-APR_decoy_scores.csv |
1Y5X-E89 | data/1Y/1Y5X-E89/1Y5X-E89_ligand.pdbqt | data/1Y/1Y5X-E89/1Y5X-E89_target.pdbqt | data/1Y/1Y5X-E89/1Y5X-E89_decoys.pdbqt | data/1Y/1Y5X-E89/1Y5X-E89_decoy_scores.csv |
1YYR-SAZ | data/1Y/1YYR-SAZ/1YYR-SAZ_ligand.pdbqt | data/1Y/1YYR-SAZ/1YYR-SAZ_target.pdbqt | data/1Y/1YYR-SAZ/1YYR-SAZ_decoys.pdbqt | data/1Y/1YYR-SAZ/1YYR-SAZ_decoy_scores.csv |
1YS1-2HR | data/1Y/1YS1-2HR/1YS1-2HR_ligand.pdbqt | data/1Y/1YS1-2HR/1YS1-2HR_target.pdbqt | data/1Y/1YS1-2HR/1YS1-2HR_decoys.pdbqt | data/1Y/1YS1-2HR/1YS1-2HR_decoy_scores.csv |
1YYZ-AMP | data/1Y/1YYZ-AMP/1YYZ-AMP_ligand.pdbqt | data/1Y/1YYZ-AMP/1YYZ-AMP_target.pdbqt | data/1Y/1YYZ-AMP/1YYZ-AMP_decoys.pdbqt | data/1Y/1YYZ-AMP/1YYZ-AMP_decoy_scores.csv |
1YBU-APC | data/1Y/1YBU-APC/1YBU-APC_ligand.pdbqt | data/1Y/1YBU-APC/1YBU-APC_target.pdbqt | data/1Y/1YBU-APC/1YBU-APC_decoys.pdbqt | data/1Y/1YBU-APC/1YBU-APC_decoy_scores.csv |
1YW2-PGJ | data/1Y/1YW2-PGJ/1YW2-PGJ_ligand.pdbqt | data/1Y/1YW2-PGJ/1YW2-PGJ_target.pdbqt | data/1Y/1YW2-PGJ/1YW2-PGJ_decoys.pdbqt | data/1Y/1YW2-PGJ/1YW2-PGJ_decoy_scores.csv |
1YRB-GDP | data/1Y/1YRB-GDP/1YRB-GDP_ligand.pdbqt | data/1Y/1YRB-GDP/1YRB-GDP_target.pdbqt | data/1Y/1YRB-GDP/1YRB-GDP_decoys.pdbqt | data/1Y/1YRB-GDP/1YRB-GDP_decoy_scores.csv |
1YVN-ATP | data/1Y/1YVN-ATP/1YVN-ATP_ligand.pdbqt | data/1Y/1YVN-ATP/1YVN-ATP_target.pdbqt | data/1Y/1YVN-ATP/1YVN-ATP_decoys.pdbqt | data/1Y/1YVN-ATP/1YVN-ATP_decoy_scores.csv |
1Y8O-RED | data/1Y/1Y8O-RED/1Y8O-RED_ligand.pdbqt | data/1Y/1Y8O-RED/1Y8O-RED_target.pdbqt | data/1Y/1Y8O-RED/1Y8O-RED_decoys.pdbqt | data/1Y/1Y8O-RED/1Y8O-RED_decoy_scores.csv |
1YV5-RIS | data/1Y/1YV5-RIS/1YV5-RIS_ligand.pdbqt | data/1Y/1YV5-RIS/1YV5-RIS_target.pdbqt | data/1Y/1YV5-RIS/1YV5-RIS_decoys.pdbqt | data/1Y/1YV5-RIS/1YV5-RIS_decoy_scores.csv |
1YQ7-RIS | data/1Y/1YQ7-RIS/1YQ7-RIS_ligand.pdbqt | data/1Y/1YQ7-RIS/1YQ7-RIS_target.pdbqt | data/1Y/1YQ7-RIS/1YQ7-RIS_decoys.pdbqt | data/1Y/1YQ7-RIS/1YQ7-RIS_decoy_scores.csv |
1Y5A-TL2 | data/1Y/1Y5A-TL2/1Y5A-TL2_ligand.pdbqt | data/1Y/1Y5A-TL2/1Y5A-TL2_target.pdbqt | data/1Y/1Y5A-TL2/1Y5A-TL2_decoys.pdbqt | data/1Y/1Y5A-TL2/1Y5A-TL2_decoy_scores.csv |
1YNO-TZD | data/1Y/1YNO-TZD/1YNO-TZD_ligand.pdbqt | data/1Y/1YNO-TZD/1YNO-TZD_target.pdbqt | data/1Y/1YNO-TZD/1YNO-TZD_decoys.pdbqt | data/1Y/1YNO-TZD/1YNO-TZD_decoy_scores.csv |
1YET-GDM | data/1Y/1YET-GDM/1YET-GDM_ligand.pdbqt | data/1Y/1YET-GDM/1YET-GDM_target.pdbqt | data/1Y/1YET-GDM/1YET-GDM_decoys.pdbqt | data/1Y/1YET-GDM/1YET-GDM_decoy_scores.csv |
1YEG-BPN | data/1Y/1YEG-BPN/1YEG-BPN_ligand.pdbqt | data/1Y/1YEG-BPN/1YEG-BPN_target.pdbqt | data/1Y/1YEG-BPN/1YEG-BPN_decoys.pdbqt | data/1Y/1YEG-BPN/1YEG-BPN_decoy_scores.csv |
1Y2F-WAI | data/1Y/1Y2F-WAI/1Y2F-WAI_ligand.pdbqt | data/1Y/1Y2F-WAI/1Y2F-WAI_target.pdbqt | data/1Y/1Y2F-WAI/1Y2F-WAI_decoys.pdbqt | data/1Y/1Y2F-WAI/1Y2F-WAI_decoy_scores.csv |
1Y2G-CL3 | data/1Y/1Y2G-CL3/1Y2G-CL3_ligand.pdbqt | data/1Y/1Y2G-CL3/1Y2G-CL3_target.pdbqt | data/1Y/1Y2G-CL3/1Y2G-CL3_decoys.pdbqt | data/1Y/1Y2G-CL3/1Y2G-CL3_decoy_scores.csv |
1YQT-ADP | data/1Y/1YQT-ADP/1YQT-ADP_ligand.pdbqt | data/1Y/1YQT-ADP/1YQT-ADP_target.pdbqt | data/1Y/1YQT-ADP/1YQT-ADP_decoys.pdbqt | data/1Y/1YQT-ADP/1YQT-ADP_decoy_scores.csv |
1YF6-SPO | data/1Y/1YF6-SPO/1YF6-SPO_ligand.pdbqt | data/1Y/1YF6-SPO/1YF6-SPO_target.pdbqt | data/1Y/1YF6-SPO/1YF6-SPO_decoys.pdbqt | data/1Y/1YF6-SPO/1YF6-SPO_decoy_scores.csv |
1YK7-NBL | data/1Y/1YK7-NBL/1YK7-NBL_ligand.pdbqt | data/1Y/1YK7-NBL/1YK7-NBL_target.pdbqt | data/1Y/1YK7-NBL/1YK7-NBL_decoys.pdbqt | data/1Y/1YK7-NBL/1YK7-NBL_decoy_scores.csv |
1YKC-GDS | data/1Y/1YKC-GDS/1YKC-GDS_ligand.pdbqt | data/1Y/1YKC-GDS/1YKC-GDS_target.pdbqt | data/1Y/1YKC-GDS/1YKC-GDS_decoys.pdbqt | data/1Y/1YKC-GDS/1YKC-GDS_decoy_scores.csv |
1YI4-ADN | data/1Y/1YI4-ADN/1YI4-ADN_ligand.pdbqt | data/1Y/1YI4-ADN/1YI4-ADN_target.pdbqt | data/1Y/1YI4-ADN/1YI4-ADN_decoys.pdbqt | data/1Y/1YI4-ADN/1YI4-ADN_decoy_scores.csv |
1Y9Z-PMS | data/1Y/1Y9Z-PMS/1Y9Z-PMS_ligand.pdbqt | data/1Y/1Y9Z-PMS/1Y9Z-PMS_target.pdbqt | data/1Y/1Y9Z-PMS/1Y9Z-PMS_decoys.pdbqt | data/1Y/1Y9Z-PMS/1Y9Z-PMS_decoy_scores.csv |
1YC4-43P | data/1Y/1YC4-43P/1YC4-43P_ligand.pdbqt | data/1Y/1YC4-43P/1YC4-43P_target.pdbqt | data/1Y/1YC4-43P/1YC4-43P_decoys.pdbqt | data/1Y/1YC4-43P/1YC4-43P_decoy_scores.csv |
1YT0-ADP | data/1Y/1YT0-ADP/1YT0-ADP_ligand.pdbqt | data/1Y/1YT0-ADP/1YT0-ADP_target.pdbqt | data/1Y/1YT0-ADP/1YT0-ADP_decoys.pdbqt | data/1Y/1YT0-ADP/1YT0-ADP_decoy_scores.csv |
1YYE-196 | data/1Y/1YYE-196/1YYE-196_ligand.pdbqt | data/1Y/1YYE-196/1YYE-196_target.pdbqt | data/1Y/1YYE-196/1YYE-196_decoys.pdbqt | data/1Y/1YYE-196/1YYE-196_decoy_scores.csv |
1YXM-ADE | data/1Y/1YXM-ADE/1YXM-ADE_ligand.pdbqt | data/1Y/1YXM-ADE/1YXM-ADE_target.pdbqt | data/1Y/1YXM-ADE/1YXM-ADE_decoys.pdbqt | data/1Y/1YXM-ADE/1YXM-ADE_decoy_scores.csv |
1YPE-UIP | data/1Y/1YPE-UIP/1YPE-UIP_ligand.pdbqt | data/1Y/1YPE-UIP/1YPE-UIP_target.pdbqt | data/1Y/1YPE-UIP/1YPE-UIP_decoys.pdbqt | data/1Y/1YPE-UIP/1YPE-UIP_decoy_scores.csv |
1Y5V-NE8 | data/1Y/1Y5V-NE8/1Y5V-NE8_ligand.pdbqt | data/1Y/1Y5V-NE8/1Y5V-NE8_target.pdbqt | data/1Y/1Y5V-NE8/1Y5V-NE8_decoys.pdbqt | data/1Y/1Y5V-NE8/1Y5V-NE8_decoy_scores.csv |
1YQ4-JZR | data/1Y/1YQ4-JZR/1YQ4-JZR_ligand.pdbqt | data/1Y/1YQ4-JZR/1YQ4-JZR_target.pdbqt | data/1Y/1YQ4-JZR/1YQ4-JZR_decoys.pdbqt | data/1Y/1YQ4-JZR/1YQ4-JZR_decoy_scores.csv |
1YKJ-PHB | data/1Y/1YKJ-PHB/1YKJ-PHB_ligand.pdbqt | data/1Y/1YKJ-PHB/1YKJ-PHB_target.pdbqt | data/1Y/1YKJ-PHB/1YKJ-PHB_decoys.pdbqt | data/1Y/1YKJ-PHB/1YKJ-PHB_decoy_scores.csv |
1YGC-905 | data/1Y/1YGC-905/1YGC-905_ligand.pdbqt | data/1Y/1YGC-905/1YGC-905_target.pdbqt | data/1Y/1YGC-905/1YGC-905_decoys.pdbqt | data/1Y/1YGC-905/1YGC-905_decoy_scores.csv |
1Y4Z-PCI | data/1Y/1Y4Z-PCI/1Y4Z-PCI_ligand.pdbqt | data/1Y/1Y4Z-PCI/1Y4Z-PCI_target.pdbqt | data/1Y/1Y4Z-PCI/1Y4Z-PCI_decoys.pdbqt | data/1Y/1Y4Z-PCI/1Y4Z-PCI_decoy_scores.csv |
1YKI-FMN | data/1Y/1YKI-FMN/1YKI-FMN_ligand.pdbqt | data/1Y/1YKI-FMN/1YKI-FMN_target.pdbqt | data/1Y/1YKI-FMN/1YKI-FMN_decoys.pdbqt | data/1Y/1YKI-FMN/1YKI-FMN_decoy_scores.csv |
1YPG-UIR | data/1Y/1YPG-UIR/1YPG-UIR_ligand.pdbqt | data/1Y/1YPG-UIR/1YPG-UIR_target.pdbqt | data/1Y/1YPG-UIR/1YPG-UIR_decoys.pdbqt | data/1Y/1YPG-UIR/1YPG-UIR_decoy_scores.csv |
1YCJ-GLU | data/1Y/1YCJ-GLU/1YCJ-GLU_ligand.pdbqt | data/1Y/1YCJ-GLU/1YCJ-GLU_target.pdbqt | data/1Y/1YCJ-GLU/1YCJ-GLU_decoys.pdbqt | data/1Y/1YCJ-GLU/1YCJ-GLU_decoy_scores.csv |
1Y13-BIO | data/1Y/1Y13-BIO/1Y13-BIO_ligand.pdbqt | data/1Y/1Y13-BIO/1Y13-BIO_target.pdbqt | data/1Y/1Y13-BIO/1Y13-BIO_decoys.pdbqt | data/1Y/1Y13-BIO/1Y13-BIO_decoy_scores.csv |
1YUK-NDG | data/1Y/1YUK-NDG/1YUK-NDG_ligand.pdbqt | data/1Y/1YUK-NDG/1YUK-NDG_target.pdbqt | data/1Y/1YUK-NDG/1YUK-NDG_decoys.pdbqt | data/1Y/1YUK-NDG/1YUK-NDG_decoy_scores.csv |
1YPJ-UIB | data/1Y/1YPJ-UIB/1YPJ-UIB_ligand.pdbqt | data/1Y/1YPJ-UIB/1YPJ-UIB_target.pdbqt | data/1Y/1YPJ-UIB/1YPJ-UIB_decoys.pdbqt | data/1Y/1YPJ-UIB/1YPJ-UIB_decoy_scores.csv |
1YQ3-JZR | data/1Y/1YQ3-JZR/1YQ3-JZR_ligand.pdbqt | data/1Y/1YQ3-JZR/1YQ3-JZR_target.pdbqt | data/1Y/1YQ3-JZR/1YQ3-JZR_decoys.pdbqt | data/1Y/1YQ3-JZR/1YQ3-JZR_decoy_scores.csv |
1YXD-LYS | data/1Y/1YXD-LYS/1YXD-LYS_ligand.pdbqt | data/1Y/1YXD-LYS/1YXD-LYS_target.pdbqt | data/1Y/1YXD-LYS/1YXD-LYS_decoys.pdbqt | data/1Y/1YXD-LYS/1YXD-LYS_decoy_scores.csv |
1YOU-PFD | data/1Y/1YOU-PFD/1YOU-PFD_ligand.pdbqt | data/1Y/1YOU-PFD/1YOU-PFD_target.pdbqt | data/1Y/1YOU-PFD/1YOU-PFD_decoys.pdbqt | data/1Y/1YOU-PFD/1YOU-PFD_decoy_scores.csv |
1YRS-ADP | data/1Y/1YRS-ADP/1YRS-ADP_ligand.pdbqt | data/1Y/1YRS-ADP/1YRS-ADP_target.pdbqt | data/1Y/1YRS-ADP/1YRS-ADP_decoys.pdbqt | data/1Y/1YRS-ADP/1YRS-ADP_decoy_scores.csv |
1YDK-GTX | data/1Y/1YDK-GTX/1YDK-GTX_ligand.pdbqt | data/1Y/1YDK-GTX/1YDK-GTX_target.pdbqt | data/1Y/1YDK-GTX/1YDK-GTX_decoys.pdbqt | data/1Y/1YDK-GTX/1YDK-GTX_decoy_scores.csv |
1YS2-2HS | data/1Y/1YS2-2HS/1YS2-2HS_ligand.pdbqt | data/1Y/1YS2-2HS/1YS2-2HS_target.pdbqt | data/1Y/1YS2-2HS/1YS2-2HS_decoys.pdbqt | data/1Y/1YS2-2HS/1YS2-2HS_decoy_scores.csv |
1Y52-BTN | data/1Y/1Y52-BTN/1Y52-BTN_ligand.pdbqt | data/1Y/1Y52-BTN/1Y52-BTN_target.pdbqt | data/1Y/1Y52-BTN/1Y52-BTN_decoys.pdbqt | data/1Y/1Y52-BTN/1Y52-BTN_decoy_scores.csv |
1YP6-PRZ | data/1Y/1YP6-PRZ/1YP6-PRZ_ligand.pdbqt | data/1Y/1YP6-PRZ/1YP6-PRZ_target.pdbqt | data/1Y/1YP6-PRZ/1YP6-PRZ_decoys.pdbqt | data/1Y/1YP6-PRZ/1YP6-PRZ_decoy_scores.csv |
1YPN-DPM | data/1Y/1YPN-DPM/1YPN-DPM_ligand.pdbqt | data/1Y/1YPN-DPM/1YPN-DPM_target.pdbqt | data/1Y/1YPN-DPM/1YPN-DPM_decoys.pdbqt | data/1Y/1YPN-DPM/1YPN-DPM_decoy_scores.csv |
1YEJ-PNF | data/1Y/1YEJ-PNF/1YEJ-PNF_ligand.pdbqt | data/1Y/1YEJ-PNF/1YEJ-PNF_target.pdbqt | data/1Y/1YEJ-PNF/1YEJ-PNF_decoys.pdbqt | data/1Y/1YEJ-PNF/1YEJ-PNF_decoy_scores.csv |
1YHM-IPE | data/1Y/1YHM-IPE/1YHM-IPE_ligand.pdbqt | data/1Y/1YHM-IPE/1YHM-IPE_target.pdbqt | data/1Y/1YHM-IPE/1YHM-IPE_decoys.pdbqt | data/1Y/1YHM-IPE/1YHM-IPE_decoy_scores.csv |
1Y3G-3PL | data/1Y/1Y3G-3PL/1Y3G-3PL_ligand.pdbqt | data/1Y/1Y3G-3PL/1Y3G-3PL_target.pdbqt | data/1Y/1Y3G-3PL/1Y3G-3PL_decoys.pdbqt | data/1Y/1Y3G-3PL/1Y3G-3PL_decoy_scores.csv |
1Y1Q-U | data/1Y/1Y1Q-U/1Y1Q-U_ligand.pdbqt | data/1Y/1Y1Q-U/1Y1Q-U_target.pdbqt | data/1Y/1Y1Q-U/1Y1Q-U_decoys.pdbqt | data/1Y/1Y1Q-U/1Y1Q-U_decoy_scores.csv |
1YKI-NFZ | data/1Y/1YKI-NFZ/1YKI-NFZ_ligand.pdbqt | data/1Y/1YKI-NFZ/1YKI-NFZ_target.pdbqt | data/1Y/1YKI-NFZ/1YKI-NFZ_decoys.pdbqt | data/1Y/1YKI-NFZ/1YKI-NFZ_decoy_scores.csv |
1YPM-RA4 | data/1Y/1YPM-RA4/1YPM-RA4_ligand.pdbqt | data/1Y/1YPM-RA4/1YPM-RA4_target.pdbqt | data/1Y/1YPM-RA4/1YPM-RA4_decoys.pdbqt | data/1Y/1YPM-RA4/1YPM-RA4_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.