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 ⌀ |
|---|---|---|---|---|
3ILT-GLU | data/3I/3ILT-GLU/3ILT-GLU_ligand.pdbqt | data/3I/3ILT-GLU/3ILT-GLU_target.pdbqt | data/3I/3ILT-GLU/3ILT-GLU_decoys.pdbqt | data/3I/3ILT-GLU/3ILT-GLU_decoy_scores.csv |
3IIQ-M12 | data/3I/3IIQ-M12/3IIQ-M12_ligand.pdbqt | data/3I/3IIQ-M12/3IIQ-M12_target.pdbqt | data/3I/3IIQ-M12/3IIQ-M12_decoys.pdbqt | data/3I/3IIQ-M12/3IIQ-M12_decoy_scores.csv |
3IW2-EKO | data/3I/3IW2-EKO/3IW2-EKO_ligand.pdbqt | data/3I/3IW2-EKO/3IW2-EKO_target.pdbqt | data/3I/3IW2-EKO/3IW2-EKO_decoys.pdbqt | data/3I/3IW2-EKO/3IW2-EKO_decoy_scores.csv |
3I95-BLA | data/3I/3I95-BLA/3I95-BLA_ligand.pdbqt | data/3I/3I95-BLA/3I95-BLA_target.pdbqt | data/3I/3I95-BLA/3I95-BLA_decoys.pdbqt | data/3I/3I95-BLA/3I95-BLA_decoy_scores.csv |
3IVH-1LI | data/3I/3IVH-1LI/3IVH-1LI_ligand.pdbqt | data/3I/3IVH-1LI/3IVH-1LI_target.pdbqt | data/3I/3IVH-1LI/3IVH-1LI_decoys.pdbqt | data/3I/3IVH-1LI/3IVH-1LI_decoy_scores.csv |
3IVD-URI | data/3I/3IVD-URI/3IVD-URI_ligand.pdbqt | data/3I/3IVD-URI/3IVD-URI_target.pdbqt | data/3I/3IVD-URI/3IVD-URI_decoys.pdbqt | data/3I/3IVD-URI/3IVD-URI_decoy_scores.csv |
3IEL-FLC | data/3I/3IEL-FLC/3IEL-FLC_ligand.pdbqt | data/3I/3IEL-FLC/3IEL-FLC_target.pdbqt | data/3I/3IEL-FLC/3IEL-FLC_decoys.pdbqt | data/3I/3IEL-FLC/3IEL-FLC_decoy_scores.csv |
3IJR-NAD | data/3I/3IJR-NAD/3IJR-NAD_ligand.pdbqt | data/3I/3IJR-NAD/3IJR-NAD_target.pdbqt | data/3I/3IJR-NAD/3IJR-NAD_decoys.pdbqt | data/3I/3IJR-NAD/3IJR-NAD_decoy_scores.csv |
3IG5-GLU | data/3I/3IG5-GLU/3IG5-GLU_ligand.pdbqt | data/3I/3IG5-GLU/3IG5-GLU_target.pdbqt | data/3I/3IG5-GLU/3IG5-GLU_decoys.pdbqt | data/3I/3IG5-GLU/3IG5-GLU_decoy_scores.csv |
3IVM-ZPR | data/3I/3IVM-ZPR/3IVM-ZPR_ligand.pdbqt | data/3I/3IVM-ZPR/3IVM-ZPR_target.pdbqt | data/3I/3IVM-ZPR/3IVM-ZPR_decoys.pdbqt | data/3I/3IVM-ZPR/3IVM-ZPR_decoy_scores.csv |
3IBQ-ATP | data/3I/3IBQ-ATP/3IBQ-ATP_ligand.pdbqt | data/3I/3IBQ-ATP/3IBQ-ATP_target.pdbqt | data/3I/3IBQ-ATP/3IBQ-ATP_decoys.pdbqt | data/3I/3IBQ-ATP/3IBQ-ATP_decoy_scores.csv |
3IB4-PE4 | data/3I/3IB4-PE4/3IB4-PE4_ligand.pdbqt | data/3I/3IB4-PE4/3IB4-PE4_target.pdbqt | data/3I/3IB4-PE4/3IB4-PE4_decoys.pdbqt | data/3I/3IB4-PE4/3IB4-PE4_decoy_scores.csv |
3IJC-NDS | data/3I/3IJC-NDS/3IJC-NDS_ligand.pdbqt | data/3I/3IJC-NDS/3IJC-NDS_target.pdbqt | data/3I/3IJC-NDS/3IJC-NDS_decoys.pdbqt | data/3I/3IJC-NDS/3IJC-NDS_decoy_scores.csv |
3IDH-GLC | data/3I/3IDH-GLC/3IDH-GLC_ligand.pdbqt | data/3I/3IDH-GLC/3IDH-GLC_target.pdbqt | data/3I/3IDH-GLC/3IDH-GLC_decoys.pdbqt | data/3I/3IDH-GLC/3IDH-GLC_decoy_scores.csv |
3I3S-GNP | data/3I/3I3S-GNP/3I3S-GNP_ligand.pdbqt | data/3I/3I3S-GNP/3I3S-GNP_target.pdbqt | data/3I/3I3S-GNP/3I3S-GNP_decoys.pdbqt | data/3I/3I3S-GNP/3I3S-GNP_decoy_scores.csv |
3IJH-KO2 | data/3I/3IJH-KO2/3IJH-KO2_ligand.pdbqt | data/3I/3IJH-KO2/3IJH-KO2_target.pdbqt | data/3I/3IJH-KO2/3IJH-KO2_decoys.pdbqt | data/3I/3IJH-KO2/3IJH-KO2_decoy_scores.csv |
3IOX-PMS | data/3I/3IOX-PMS/3IOX-PMS_ligand.pdbqt | data/3I/3IOX-PMS/3IOX-PMS_target.pdbqt | data/3I/3IOX-PMS/3IOX-PMS_decoys.pdbqt | data/3I/3IOX-PMS/3IOX-PMS_decoy_scores.csv |
3IMR-IW1 | data/3I/3IMR-IW1/3IMR-IW1_ligand.pdbqt | data/3I/3IMR-IW1/3IMR-IW1_target.pdbqt | data/3I/3IMR-IW1/3IMR-IW1_decoys.pdbqt | data/3I/3IMR-IW1/3IMR-IW1_decoy_scores.csv |
3ICK-M0N | data/3I/3ICK-M0N/3ICK-M0N_ligand.pdbqt | data/3I/3ICK-M0N/3ICK-M0N_target.pdbqt | data/3I/3ICK-M0N/3ICK-M0N_decoys.pdbqt | data/3I/3ICK-M0N/3ICK-M0N_decoy_scores.csv |
3I3A-S2N | data/3I/3I3A-S2N/3I3A-S2N_ligand.pdbqt | data/3I/3I3A-S2N/3I3A-S2N_target.pdbqt | data/3I/3I3A-S2N/3I3A-S2N_decoys.pdbqt | data/3I/3I3A-S2N/3I3A-S2N_decoy_scores.csv |
3IG6-438 | data/3I/3IG6-438/3IG6-438_ligand.pdbqt | data/3I/3IG6-438/3IG6-438_target.pdbqt | data/3I/3IG6-438/3IG6-438_decoys.pdbqt | data/3I/3IG6-438/3IG6-438_decoy_scores.csv |
3I5C-C2E | data/3I/3I5C-C2E/3I5C-C2E_ligand.pdbqt | data/3I/3I5C-C2E/3I5C-C2E_target.pdbqt | data/3I/3I5C-C2E/3I5C-C2E_decoys.pdbqt | data/3I/3I5C-C2E/3I5C-C2E_decoy_scores.csv |
3ITZ-P66 | data/3I/3ITZ-P66/3ITZ-P66_ligand.pdbqt | data/3I/3ITZ-P66/3ITZ-P66_target.pdbqt | data/3I/3ITZ-P66/3ITZ-P66_decoys.pdbqt | data/3I/3ITZ-P66/3ITZ-P66_decoy_scores.csv |
3ICN-NI9 | data/3I/3ICN-NI9/3ICN-NI9_ligand.pdbqt | data/3I/3ICN-NI9/3ICN-NI9_target.pdbqt | data/3I/3ICN-NI9/3ICN-NI9_decoys.pdbqt | data/3I/3ICN-NI9/3ICN-NI9_decoy_scores.csv |
3IEO-AMJ | data/3I/3IEO-AMJ/3IEO-AMJ_ligand.pdbqt | data/3I/3IEO-AMJ/3IEO-AMJ_target.pdbqt | data/3I/3IEO-AMJ/3IEO-AMJ_decoys.pdbqt | data/3I/3IEO-AMJ/3IEO-AMJ_decoy_scores.csv |
3IOC-A5D | data/3I/3IOC-A5D/3IOC-A5D_ligand.pdbqt | data/3I/3IOC-A5D/3IOC-A5D_target.pdbqt | data/3I/3IOC-A5D/3IOC-A5D_decoys.pdbqt | data/3I/3IOC-A5D/3IOC-A5D_decoy_scores.csv |
3IUE-FG3 | data/3I/3IUE-FG3/3IUE-FG3_ligand.pdbqt | data/3I/3IUE-FG3/3IUE-FG3_target.pdbqt | data/3I/3IUE-FG3/3IUE-FG3_decoys.pdbqt | data/3I/3IUE-FG3/3IUE-FG3_decoy_scores.csv |
3IWD-M2T | data/3I/3IWD-M2T/3IWD-M2T_ligand.pdbqt | data/3I/3IWD-M2T/3IWD-M2T_target.pdbqt | data/3I/3IWD-M2T/3IWD-M2T_decoys.pdbqt | data/3I/3IWD-M2T/3IWD-M2T_decoy_scores.csv |
3I6V-LYS | data/3I/3I6V-LYS/3I6V-LYS_ligand.pdbqt | data/3I/3I6V-LYS/3I6V-LYS_target.pdbqt | data/3I/3I6V-LYS/3I6V-LYS_decoys.pdbqt | data/3I/3I6V-LYS/3I6V-LYS_decoy_scores.csv |
3IKD-J9Z | data/3I/3IKD-J9Z/3IKD-J9Z_ligand.pdbqt | data/3I/3IKD-J9Z/3IKD-J9Z_target.pdbqt | data/3I/3IKD-J9Z/3IKD-J9Z_decoys.pdbqt | data/3I/3IKD-J9Z/3IKD-J9Z_decoy_scores.csv |
3ICZ-PB6 | data/3I/3ICZ-PB6/3ICZ-PB6_ligand.pdbqt | data/3I/3ICZ-PB6/3ICZ-PB6_target.pdbqt | data/3I/3ICZ-PB6/3ICZ-PB6_decoys.pdbqt | data/3I/3ICZ-PB6/3ICZ-PB6_decoy_scores.csv |
3IUB-FG2 | data/3I/3IUB-FG2/3IUB-FG2_ligand.pdbqt | data/3I/3IUB-FG2/3IUB-FG2_target.pdbqt | data/3I/3IUB-FG2/3IUB-FG2_decoys.pdbqt | data/3I/3IUB-FG2/3IUB-FG2_decoy_scores.csv |
3IOE-A7D | data/3I/3IOE-A7D/3IOE-A7D_ligand.pdbqt | data/3I/3IOE-A7D/3IOE-A7D_target.pdbqt | data/3I/3IOE-A7D/3IOE-A7D_decoys.pdbqt | data/3I/3IOE-A7D/3IOE-A7D_decoy_scores.csv |
3I65-ORO | data/3I/3I65-ORO/3I65-ORO_ligand.pdbqt | data/3I/3I65-ORO/3I65-ORO_target.pdbqt | data/3I/3I65-ORO/3I65-ORO_decoys.pdbqt | data/3I/3I65-ORO/3I65-ORO_decoy_scores.csv |
3IEW-CTP | data/3I/3IEW-CTP/3IEW-CTP_ligand.pdbqt | data/3I/3IEW-CTP/3IEW-CTP_target.pdbqt | data/3I/3IEW-CTP/3IEW-CTP_decoys.pdbqt | data/3I/3IEW-CTP/3IEW-CTP_decoy_scores.csv |
3IB3-PLM | data/3I/3IB3-PLM/3IB3-PLM_ligand.pdbqt | data/3I/3IB3-PLM/3IB3-PLM_target.pdbqt | data/3I/3IB3-PLM/3IB3-PLM_decoys.pdbqt | data/3I/3IB3-PLM/3IB3-PLM_decoy_scores.csv |
3IAE-D7K | data/3I/3IAE-D7K/3IAE-D7K_ligand.pdbqt | data/3I/3IAE-D7K/3IAE-D7K_target.pdbqt | data/3I/3IAE-D7K/3IAE-D7K_decoys.pdbqt | data/3I/3IAE-D7K/3IAE-D7K_decoy_scores.csv |
3IB8-BTB | data/3I/3IB8-BTB/3IB8-BTB_ligand.pdbqt | data/3I/3IB8-BTB/3IB8-BTB_target.pdbqt | data/3I/3IB8-BTB/3IB8-BTB_decoys.pdbqt | data/3I/3IB8-BTB/3IB8-BTB_decoy_scores.csv |
3IP0-HHR | data/3I/3IP0-HHR/3IP0-HHR_ligand.pdbqt | data/3I/3IP0-HHR/3IP0-HHR_target.pdbqt | data/3I/3IP0-HHR/3IP0-HHR_decoys.pdbqt | data/3I/3IP0-HHR/3IP0-HHR_decoy_scores.csv |
3ICZ-IPE | data/3I/3ICZ-IPE/3ICZ-IPE_ligand.pdbqt | data/3I/3ICZ-IPE/3ICZ-IPE_target.pdbqt | data/3I/3ICZ-IPE/3ICZ-IPE_decoys.pdbqt | data/3I/3ICZ-IPE/3ICZ-IPE_decoy_scores.csv |
3IN7-AYQ | data/3I/3IN7-AYQ/3IN7-AYQ_ligand.pdbqt | data/3I/3IN7-AYQ/3IN7-AYQ_target.pdbqt | data/3I/3IN7-AYQ/3IN7-AYQ_decoys.pdbqt | data/3I/3IN7-AYQ/3IN7-AYQ_decoy_scores.csv |
3IOB-A4D | data/3I/3IOB-A4D/3IOB-A4D_ligand.pdbqt | data/3I/3IOB-A4D/3IOB-A4D_target.pdbqt | data/3I/3IOB-A4D/3IOB-A4D_decoys.pdbqt | data/3I/3IOB-A4D/3IOB-A4D_decoy_scores.csv |
3I9M-AVU | data/3I/3I9M-AVU/3I9M-AVU_ligand.pdbqt | data/3I/3I9M-AVU/3I9M-AVU_target.pdbqt | data/3I/3I9M-AVU/3I9M-AVU_decoys.pdbqt | data/3I/3I9M-AVU/3I9M-AVU_decoy_scores.csv |
3IKF-717 | data/3I/3IKF-717/3IKF-717_ligand.pdbqt | data/3I/3IKF-717/3IKF-717_target.pdbqt | data/3I/3IKF-717/3IKF-717_decoys.pdbqt | data/3I/3IKF-717/3IKF-717_decoy_scores.csv |
3IEI-SAH | data/3I/3IEI-SAH/3IEI-SAH_ligand.pdbqt | data/3I/3IEI-SAH/3IEI-SAH_target.pdbqt | data/3I/3IEI-SAH/3IEI-SAH_decoys.pdbqt | data/3I/3IEI-SAH/3IEI-SAH_decoy_scores.csv |
3IWJ-NAD | data/3I/3IWJ-NAD/3IWJ-NAD_ligand.pdbqt | data/3I/3IWJ-NAD/3IWJ-NAD_target.pdbqt | data/3I/3IWJ-NAD/3IWJ-NAD_decoys.pdbqt | data/3I/3IWJ-NAD/3IWJ-NAD_decoy_scores.csv |
3I65-FMN | data/3I/3I65-FMN/3I65-FMN_ligand.pdbqt | data/3I/3I65-FMN/3I65-FMN_target.pdbqt | data/3I/3I65-FMN/3I65-FMN_decoys.pdbqt | data/3I/3I65-FMN/3I65-FMN_decoy_scores.csv |
3IJZ-UMP | data/3I/3IJZ-UMP/3IJZ-UMP_ligand.pdbqt | data/3I/3IJZ-UMP/3IJZ-UMP_target.pdbqt | data/3I/3IJZ-UMP/3IJZ-UMP_decoys.pdbqt | data/3I/3IJZ-UMP/3IJZ-UMP_decoy_scores.csv |
3IN8-FYI | data/3I/3IN8-FYI/3IN8-FYI_ligand.pdbqt | data/3I/3IN8-FYI/3IN8-FYI_target.pdbqt | data/3I/3IN8-FYI/3IN8-FYI_decoys.pdbqt | data/3I/3IN8-FYI/3IN8-FYI_decoy_scores.csv |
3IF6-P6G | data/3I/3IF6-P6G/3IF6-P6G_ligand.pdbqt | data/3I/3IF6-P6G/3IF6-P6G_target.pdbqt | data/3I/3IF6-P6G/3IF6-P6G_decoys.pdbqt | data/3I/3IF6-P6G/3IF6-P6G_decoy_scores.csv |
3IMG-BZ2 | data/3I/3IMG-BZ2/3IMG-BZ2_ligand.pdbqt | data/3I/3IMG-BZ2/3IMG-BZ2_target.pdbqt | data/3I/3IMG-BZ2/3IMG-BZ2_decoys.pdbqt | data/3I/3IMG-BZ2/3IMG-BZ2_decoy_scores.csv |
2A8G-GNG | data/2A/2A8G-GNG/2A8G-GNG_ligand.pdbqt | data/2A/2A8G-GNG/2A8G-GNG_target.pdbqt | data/2A/2A8G-GNG/2A8G-GNG_decoys.pdbqt | data/2A/2A8G-GNG/2A8G-GNG_decoy_scores.csv |
2AJV-COC | data/2A/2AJV-COC/2AJV-COC_ligand.pdbqt | data/2A/2AJV-COC/2AJV-COC_target.pdbqt | data/2A/2AJV-COC/2AJV-COC_decoys.pdbqt | data/2A/2AJV-COC/2AJV-COC_decoy_scores.csv |
2AQ7-TL5 | data/2A/2AQ7-TL5/2AQ7-TL5_ligand.pdbqt | data/2A/2AQ7-TL5/2AQ7-TL5_target.pdbqt | data/2A/2AQ7-TL5/2AQ7-TL5_decoys.pdbqt | data/2A/2AQ7-TL5/2AQ7-TL5_decoy_scores.csv |
2AIM-ZRA | data/2A/2AIM-ZRA/2AIM-ZRA_ligand.pdbqt | data/2A/2AIM-ZRA/2AIM-ZRA_target.pdbqt | data/2A/2AIM-ZRA/2AIM-ZRA_decoys.pdbqt | data/2A/2AIM-ZRA/2AIM-ZRA_decoy_scores.csv |
2AR8-CTE | data/2A/2AR8-CTE/2AR8-CTE_ligand.pdbqt | data/2A/2AR8-CTE/2AR8-CTE_target.pdbqt | data/2A/2AR8-CTE/2AR8-CTE_decoys.pdbqt | data/2A/2AR8-CTE/2AR8-CTE_decoy_scores.csv |
2ABA-FMN | data/2A/2ABA-FMN/2ABA-FMN_ligand.pdbqt | data/2A/2ABA-FMN/2ABA-FMN_target.pdbqt | data/2A/2ABA-FMN/2ABA-FMN_decoys.pdbqt | data/2A/2ABA-FMN/2ABA-FMN_decoy_scores.csv |
2ACE-ACH | data/2A/2ACE-ACH/2ACE-ACH_ligand.pdbqt | data/2A/2ACE-ACH/2ACE-ACH_target.pdbqt | data/2A/2ACE-ACH/2ACE-ACH_decoys.pdbqt | data/2A/2ACE-ACH/2ACE-ACH_decoy_scores.csv |
2AAW-P33 | data/2A/2AAW-P33/2AAW-P33_ligand.pdbqt | data/2A/2AAW-P33/2AAW-P33_target.pdbqt | data/2A/2AAW-P33/2AAW-P33_decoys.pdbqt | data/2A/2AAW-P33/2AAW-P33_decoy_scores.csv |
2AOT-SAH | data/2A/2AOT-SAH/2AOT-SAH_ligand.pdbqt | data/2A/2AOT-SAH/2AOT-SAH_target.pdbqt | data/2A/2AOT-SAH/2AOT-SAH_decoys.pdbqt | data/2A/2AOT-SAH/2AOT-SAH_decoy_scores.csv |
2A86-AMP | data/2A/2A86-AMP/2A86-AMP_ligand.pdbqt | data/2A/2A86-AMP/2A86-AMP_target.pdbqt | data/2A/2A86-AMP/2A86-AMP_decoys.pdbqt | data/2A/2A86-AMP/2A86-AMP_decoy_scores.csv |
2AL4-QUS | data/2A/2AL4-QUS/2AL4-QUS_ligand.pdbqt | data/2A/2AL4-QUS/2AL4-QUS_target.pdbqt | data/2A/2AL4-QUS/2AL4-QUS_decoys.pdbqt | data/2A/2AL4-QUS/2AL4-QUS_decoy_scores.csv |
2AM9-TES | data/2A/2AM9-TES/2AM9-TES_ligand.pdbqt | data/2A/2AM9-TES/2AM9-TES_target.pdbqt | data/2A/2AM9-TES/2AM9-TES_decoys.pdbqt | data/2A/2AM9-TES/2AM9-TES_decoy_scores.csv |
2AF9-OLA | data/2A/2AF9-OLA/2AF9-OLA_ligand.pdbqt | data/2A/2AF9-OLA/2AF9-OLA_target.pdbqt | data/2A/2AF9-OLA/2AF9-OLA_decoys.pdbqt | data/2A/2AF9-OLA/2AF9-OLA_decoy_scores.csv |
2AXA-FHM | data/2A/2AXA-FHM/2AXA-FHM_ligand.pdbqt | data/2A/2AXA-FHM/2AXA-FHM_target.pdbqt | data/2A/2AXA-FHM/2AXA-FHM_decoys.pdbqt | data/2A/2AXA-FHM/2AXA-FHM_decoy_scores.csv |
2AN9-GDP | data/2A/2AN9-GDP/2AN9-GDP_ligand.pdbqt | data/2A/2AN9-GDP/2AN9-GDP_target.pdbqt | data/2A/2AN9-GDP/2AN9-GDP_decoys.pdbqt | data/2A/2AN9-GDP/2AN9-GDP_decoy_scores.csv |
2ANK-N12 | data/2A/2ANK-N12/2ANK-N12_ligand.pdbqt | data/2A/2ANK-N12/2ANK-N12_target.pdbqt | data/2A/2ANK-N12/2ANK-N12_decoys.pdbqt | data/2A/2ANK-N12/2ANK-N12_decoy_scores.csv |
2A0X-DIH | data/2A/2A0X-DIH/2A0X-DIH_ligand.pdbqt | data/2A/2A0X-DIH/2A0X-DIH_target.pdbqt | data/2A/2A0X-DIH/2A0X-DIH_decoys.pdbqt | data/2A/2A0X-DIH/2A0X-DIH_decoy_scores.csv |
2A3W-CPJ | data/2A/2A3W-CPJ/2A3W-CPJ_ligand.pdbqt | data/2A/2A3W-CPJ/2A3W-CPJ_target.pdbqt | data/2A/2A3W-CPJ/2A3W-CPJ_decoys.pdbqt | data/2A/2A3W-CPJ/2A3W-CPJ_decoy_scores.csv |
2AN9-GMP | data/2A/2AN9-GMP/2AN9-GMP_ligand.pdbqt | data/2A/2AN9-GMP/2AN9-GMP_target.pdbqt | data/2A/2AN9-GMP/2AN9-GMP_decoys.pdbqt | data/2A/2AN9-GMP/2AN9-GMP_decoy_scores.csv |
2A9A-MTE | data/2A/2A9A-MTE/2A9A-MTE_ligand.pdbqt | data/2A/2A9A-MTE/2A9A-MTE_target.pdbqt | null | null |
2AVO-MK1 | data/2A/2AVO-MK1/2AVO-MK1_ligand.pdbqt | data/2A/2AVO-MK1/2AVO-MK1_target.pdbqt | data/2A/2AVO-MK1/2AVO-MK1_decoys.pdbqt | data/2A/2AVO-MK1/2AVO-MK1_decoy_scores.csv |
2AGX-TSH | data/2A/2AGX-TSH/2AGX-TSH_ligand.pdbqt | data/2A/2AGX-TSH/2AGX-TSH_target.pdbqt | data/2A/2AGX-TSH/2AGX-TSH_decoys.pdbqt | data/2A/2AGX-TSH/2AGX-TSH_decoy_scores.csv |
2AM4-U2F | data/2A/2AM4-U2F/2AM4-U2F_ligand.pdbqt | data/2A/2AM4-U2F/2AM4-U2F_target.pdbqt | data/2A/2AM4-U2F/2AM4-U2F_decoys.pdbqt | data/2A/2AM4-U2F/2AM4-U2F_decoy_scores.csv |
2A4O-BBL | data/2A/2A4O-BBL/2A4O-BBL_ligand.pdbqt | data/2A/2A4O-BBL/2A4O-BBL_target.pdbqt | data/2A/2A4O-BBL/2A4O-BBL_decoys.pdbqt | data/2A/2A4O-BBL/2A4O-BBL_decoy_scores.csv |
2A4L-RRC | data/2A/2A4L-RRC/2A4L-RRC_ligand.pdbqt | data/2A/2A4L-RRC/2A4L-RRC_target.pdbqt | data/2A/2A4L-RRC/2A4L-RRC_decoys.pdbqt | data/2A/2A4L-RRC/2A4L-RRC_decoy_scores.csv |
2A5T-GLU | data/2A/2A5T-GLU/2A5T-GLU_ligand.pdbqt | data/2A/2A5T-GLU/2A5T-GLU_target.pdbqt | data/2A/2A5T-GLU/2A5T-GLU_decoys.pdbqt | data/2A/2A5T-GLU/2A5T-GLU_decoy_scores.csv |
2AL1-PEP | data/2A/2AL1-PEP/2AL1-PEP_ligand.pdbqt | data/2A/2AL1-PEP/2AL1-PEP_target.pdbqt | data/2A/2AL1-PEP/2AL1-PEP_decoys.pdbqt | data/2A/2AL1-PEP/2AL1-PEP_decoy_scores.csv |
2AG6-4BF | data/2A/2AG6-4BF/2AG6-4BF_ligand.pdbqt | data/2A/2AG6-4BF/2AG6-4BF_target.pdbqt | data/2A/2AG6-4BF/2AG6-4BF_decoys.pdbqt | data/2A/2AG6-4BF/2AG6-4BF_decoy_scores.csv |
2A3U-TSL | data/2A/2A3U-TSL/2A3U-TSL_ligand.pdbqt | data/2A/2A3U-TSL/2A3U-TSL_target.pdbqt | data/2A/2A3U-TSL/2A3U-TSL_decoys.pdbqt | data/2A/2A3U-TSL/2A3U-TSL_decoy_scores.csv |
2A9D-MTE | data/2A/2A9D-MTE/2A9D-MTE_ligand.pdbqt | data/2A/2A9D-MTE/2A9D-MTE_target.pdbqt | null | null |
2A8T-MGT | data/2A/2A8T-MGT/2A8T-MGT_ligand.pdbqt | data/2A/2A8T-MGT/2A8T-MGT_target.pdbqt | data/2A/2A8T-MGT/2A8T-MGT_decoys.pdbqt | data/2A/2A8T-MGT/2A8T-MGT_decoy_scores.csv |
2AMD-9IN | data/2A/2AMD-9IN/2AMD-9IN_ligand.pdbqt | data/2A/2AMD-9IN/2AMD-9IN_target.pdbqt | data/2A/2AMD-9IN/2AMD-9IN_decoys.pdbqt | data/2A/2AMD-9IN/2AMD-9IN_decoy_scores.csv |
2AGV-TG1 | data/2A/2AGV-TG1/2AGV-TG1_ligand.pdbqt | data/2A/2AGV-TG1/2AGV-TG1_target.pdbqt | data/2A/2AGV-TG1/2AGV-TG1_decoys.pdbqt | data/2A/2AGV-TG1/2AGV-TG1_decoy_scores.csv |
2ACO-VCA | data/2A/2ACO-VCA/2ACO-VCA_ligand.pdbqt | data/2A/2ACO-VCA/2ACO-VCA_target.pdbqt | data/2A/2ACO-VCA/2ACO-VCA_decoys.pdbqt | data/2A/2ACO-VCA/2ACO-VCA_decoy_scores.csv |
2AN3-SAH | data/2A/2AN3-SAH/2AN3-SAH_ligand.pdbqt | data/2A/2AN3-SAH/2AN3-SAH_target.pdbqt | data/2A/2AN3-SAH/2AN3-SAH_decoys.pdbqt | data/2A/2AN3-SAH/2AN3-SAH_decoy_scores.csv |
2A14-SAH | data/2A/2A14-SAH/2A14-SAH_ligand.pdbqt | data/2A/2A14-SAH/2A14-SAH_target.pdbqt | data/2A/2A14-SAH/2A14-SAH_decoys.pdbqt | data/2A/2A14-SAH/2A14-SAH_decoy_scores.csv |
2AER-BEN | data/2A/2AER-BEN/2AER-BEN_ligand.pdbqt | data/2A/2AER-BEN/2AER-BEN_target.pdbqt | data/2A/2AER-BEN/2AER-BEN_decoys.pdbqt | data/2A/2AER-BEN/2AER-BEN_decoy_scores.csv |
2ARU-ATP | data/2A/2ARU-ATP/2ARU-ATP_ligand.pdbqt | data/2A/2ARU-ATP/2ARU-ATP_target.pdbqt | data/2A/2ARU-ATP/2ARU-ATP_decoys.pdbqt | data/2A/2ARU-ATP/2ARU-ATP_decoy_scores.csv |
2AJY-ECG | data/2A/2AJY-ECG/2AJY-ECG_ligand.pdbqt | data/2A/2AJY-ECG/2AJY-ECG_target.pdbqt | data/2A/2AJY-ECG/2AJY-ECG_decoys.pdbqt | data/2A/2AJY-ECG/2AJY-ECG_decoy_scores.csv |
2A49-TEM | data/2A/2A49-TEM/2A49-TEM_ligand.pdbqt | data/2A/2A49-TEM/2A49-TEM_target.pdbqt | data/2A/2A49-TEM/2A49-TEM_decoys.pdbqt | data/2A/2A49-TEM/2A49-TEM_decoy_scores.csv |
2AI3-P2G | data/2A/2AI3-P2G/2AI3-P2G_ligand.pdbqt | data/2A/2AI3-P2G/2AI3-P2G_target.pdbqt | data/2A/2AI3-P2G/2AI3-P2G_decoys.pdbqt | data/2A/2AI3-P2G/2AI3-P2G_decoy_scores.csv |
2AY2-CXP | data/2A/2AY2-CXP/2AY2-CXP_ligand.pdbqt | data/2A/2AY2-CXP/2AY2-CXP_target.pdbqt | data/2A/2AY2-CXP/2AY2-CXP_decoys.pdbqt | data/2A/2AY2-CXP/2AY2-CXP_decoy_scores.csv |
2AB8-ACP | data/2A/2AB8-ACP/2AB8-ACP_ligand.pdbqt | data/2A/2AB8-ACP/2AB8-ACP_target.pdbqt | data/2A/2AB8-ACP/2AB8-ACP_decoys.pdbqt | data/2A/2AB8-ACP/2AB8-ACP_decoy_scores.csv |
2ATS-DLY | data/2A/2ATS-DLY/2ATS-DLY_ligand.pdbqt | data/2A/2ATS-DLY/2ATS-DLY_target.pdbqt | data/2A/2ATS-DLY/2ATS-DLY_decoys.pdbqt | data/2A/2ATS-DLY/2ATS-DLY_decoy_scores.csv |
2AA5-STR | data/2A/2AA5-STR/2AA5-STR_ligand.pdbqt | data/2A/2AA5-STR/2AA5-STR_target.pdbqt | data/2A/2AA5-STR/2AA5-STR_decoys.pdbqt | data/2A/2AA5-STR/2AA5-STR_decoy_scores.csv |
2AA7-1CA | data/2A/2AA7-1CA/2AA7-1CA_ligand.pdbqt | data/2A/2AA7-1CA/2AA7-1CA_target.pdbqt | data/2A/2AA7-1CA/2AA7-1CA_decoys.pdbqt | data/2A/2AA7-1CA/2AA7-1CA_decoy_scores.csv |
2A5B-8HG | data/2A/2A5B-8HG/2A5B-8HG_ligand.pdbqt | data/2A/2A5B-8HG/2A5B-8HG_target.pdbqt | data/2A/2A5B-8HG/2A5B-8HG_decoys.pdbqt | data/2A/2A5B-8HG/2A5B-8HG_decoy_scores.csv |
2AD7-PQQ | data/2A/2AD7-PQQ/2AD7-PQQ_ligand.pdbqt | data/2A/2AD7-PQQ/2AD7-PQQ_target.pdbqt | data/2A/2AD7-PQQ/2AD7-PQQ_decoys.pdbqt | data/2A/2AD7-PQQ/2AD7-PQQ_decoy_scores.csv |
2A7X-AMP | data/2A/2A7X-AMP/2A7X-AMP_ligand.pdbqt | data/2A/2A7X-AMP/2A7X-AMP_target.pdbqt | data/2A/2A7X-AMP/2A7X-AMP_decoys.pdbqt | data/2A/2A7X-AMP/2A7X-AMP_decoy_scores.csv |
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