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 ⌀ |
|---|---|---|---|---|
3B68-B68 | data/3B/3B68-B68/3B68-B68_ligand.pdbqt | data/3B/3B68-B68/3B68-B68_target.pdbqt | data/3B/3B68-B68/3B68-B68_decoys.pdbqt | data/3B/3B68-B68/3B68-B68_decoy_scores.csv |
3B2H-PLM | data/3B/3B2H-PLM/3B2H-PLM_ligand.pdbqt | data/3B/3B2H-PLM/3B2H-PLM_target.pdbqt | data/3B/3B2H-PLM/3B2H-PLM_decoys.pdbqt | data/3B/3B2H-PLM/3B2H-PLM_decoy_scores.csv |
3B9J-MTE | data/3B/3B9J-MTE/3B9J-MTE_ligand.pdbqt | data/3B/3B9J-MTE/3B9J-MTE_target.pdbqt | null | null |
3BNM-SPJ | data/3B/3BNM-SPJ/3BNM-SPJ_ligand.pdbqt | data/3B/3BNM-SPJ/3BNM-SPJ_target.pdbqt | data/3B/3BNM-SPJ/3BNM-SPJ_decoys.pdbqt | data/3B/3BNM-SPJ/3BNM-SPJ_decoy_scores.csv |
3BK8-AZA | data/3B/3BK8-AZA/3BK8-AZA_ligand.pdbqt | data/3B/3BK8-AZA/3BK8-AZA_target.pdbqt | data/3B/3BK8-AZA/3BK8-AZA_decoys.pdbqt | data/3B/3BK8-AZA/3BK8-AZA_decoy_scores.csv |
3B1W-GDP | data/3B/3B1W-GDP/3B1W-GDP_ligand.pdbqt | data/3B/3B1W-GDP/3B1W-GDP_target.pdbqt | data/3B/3B1W-GDP/3B1W-GDP_decoys.pdbqt | data/3B/3B1W-GDP/3B1W-GDP_decoy_scores.csv |
3BAB-NMN | data/3B/3BAB-NMN/3BAB-NMN_ligand.pdbqt | data/3B/3BAB-NMN/3BAB-NMN_target.pdbqt | data/3B/3BAB-NMN/3BAB-NMN_decoys.pdbqt | data/3B/3BAB-NMN/3BAB-NMN_decoy_scores.csv |
3BZ8-ADP | data/3B/3BZ8-ADP/3BZ8-ADP_ligand.pdbqt | data/3B/3BZ8-ADP/3BZ8-ADP_target.pdbqt | null | null |
3BGQ-VX2 | data/3B/3BGQ-VX2/3BGQ-VX2_ligand.pdbqt | data/3B/3BGQ-VX2/3BGQ-VX2_target.pdbqt | data/3B/3BGQ-VX2/3BGQ-VX2_decoys.pdbqt | data/3B/3BGQ-VX2/3BGQ-VX2_decoy_scores.csv |
3BGS-DIH | data/3B/3BGS-DIH/3BGS-DIH_ligand.pdbqt | data/3B/3BGS-DIH/3BGS-DIH_target.pdbqt | data/3B/3BGS-DIH/3BGS-DIH_decoys.pdbqt | data/3B/3BGS-DIH/3BGS-DIH_decoy_scores.csv |
3BHV-VAR | data/3B/3BHV-VAR/3BHV-VAR_ligand.pdbqt | data/3B/3BHV-VAR/3BHV-VAR_target.pdbqt | data/3B/3BHV-VAR/3BHV-VAR_decoys.pdbqt | data/3B/3BHV-VAR/3BHV-VAR_decoy_scores.csv |
3B6Q-GLU | data/3B/3B6Q-GLU/3B6Q-GLU_ligand.pdbqt | data/3B/3B6Q-GLU/3B6Q-GLU_target.pdbqt | data/3B/3B6Q-GLU/3B6Q-GLU_decoys.pdbqt | data/3B/3B6Q-GLU/3B6Q-GLU_decoy_scores.csv |
3B0P-FMN | data/3B/3B0P-FMN/3B0P-FMN_ligand.pdbqt | data/3B/3B0P-FMN/3B0P-FMN_target.pdbqt | data/3B/3B0P-FMN/3B0P-FMN_decoys.pdbqt | data/3B/3B0P-FMN/3B0P-FMN_decoy_scores.csv |
3BUR-TES | data/3B/3BUR-TES/3BUR-TES_ligand.pdbqt | data/3B/3BUR-TES/3BUR-TES_target.pdbqt | data/3B/3BUR-TES/3BUR-TES_decoys.pdbqt | data/3B/3BUR-TES/3BUR-TES_decoy_scores.csv |
3B1T-YCL | data/3B/3B1T-YCL/3B1T-YCL_ligand.pdbqt | data/3B/3B1T-YCL/3B1T-YCL_target.pdbqt | data/3B/3B1T-YCL/3B1T-YCL_decoys.pdbqt | data/3B/3B1T-YCL/3B1T-YCL_decoy_scores.csv |
3BEA-IXH | data/3B/3BEA-IXH/3BEA-IXH_ligand.pdbqt | data/3B/3BEA-IXH/3BEA-IXH_target.pdbqt | data/3B/3BEA-IXH/3BEA-IXH_decoys.pdbqt | data/3B/3BEA-IXH/3BEA-IXH_decoy_scores.csv |
3B78-NAD | data/3B/3B78-NAD/3B78-NAD_ligand.pdbqt | data/3B/3B78-NAD/3B78-NAD_target.pdbqt | data/3B/3B78-NAD/3B78-NAD_decoys.pdbqt | data/3B/3B78-NAD/3B78-NAD_decoy_scores.csv |
3B99-U51 | data/3B/3B99-U51/3B99-U51_ligand.pdbqt | data/3B/3B99-U51/3B99-U51_target.pdbqt | data/3B/3B99-U51/3B99-U51_decoys.pdbqt | data/3B/3B99-U51/3B99-U51_decoy_scores.csv |
3BAF-ANP | data/3B/3BAF-ANP/3BAF-ANP_ligand.pdbqt | data/3B/3BAF-ANP/3BAF-ANP_target.pdbqt | data/3B/3BAF-ANP/3BAF-ANP_decoys.pdbqt | data/3B/3BAF-ANP/3BAF-ANP_decoy_scores.csv |
3BV2-P38 | data/3B/3BV2-P38/3BV2-P38_ligand.pdbqt | data/3B/3BV2-P38/3BV2-P38_target.pdbqt | data/3B/3BV2-P38/3BV2-P38_decoys.pdbqt | data/3B/3BV2-P38/3BV2-P38_decoy_scores.csv |
3BFV-ADP | data/3B/3BFV-ADP/3BFV-ADP_ligand.pdbqt | data/3B/3BFV-ADP/3BFV-ADP_target.pdbqt | data/3B/3BFV-ADP/3BFV-ADP_decoys.pdbqt | data/3B/3BFV-ADP/3BFV-ADP_decoy_scores.csv |
3B6O-TMP | data/3B/3B6O-TMP/3B6O-TMP_ligand.pdbqt | data/3B/3B6O-TMP/3B6O-TMP_target.pdbqt | null | null |
3B37-TYR | data/3B/3B37-TYR/3B37-TYR_ligand.pdbqt | data/3B/3B37-TYR/3B37-TYR_target.pdbqt | data/3B/3B37-TYR/3B37-TYR_decoys.pdbqt | data/3B/3B37-TYR/3B37-TYR_decoy_scores.csv |
3BJE-R1P | data/3B/3BJE-R1P/3BJE-R1P_ligand.pdbqt | data/3B/3BJE-R1P/3BJE-R1P_target.pdbqt | data/3B/3BJE-R1P/3BJE-R1P_decoys.pdbqt | data/3B/3BJE-R1P/3BJE-R1P_decoy_scores.csv |
3B06-FNR | data/3B/3B06-FNR/3B06-FNR_ligand.pdbqt | data/3B/3B06-FNR/3B06-FNR_target.pdbqt | data/3B/3B06-FNR/3B06-FNR_decoys.pdbqt | data/3B/3B06-FNR/3B06-FNR_decoy_scores.csv |
3BFC-IM2 | data/3B/3BFC-IM2/3BFC-IM2_ligand.pdbqt | data/3B/3BFC-IM2/3BFC-IM2_target.pdbqt | data/3B/3BFC-IM2/3BFC-IM2_decoys.pdbqt | data/3B/3BFC-IM2/3BFC-IM2_decoy_scores.csv |
3BIV-11U | data/3B/3BIV-11U/3BIV-11U_ligand.pdbqt | data/3B/3BIV-11U/3BIV-11U_target.pdbqt | data/3B/3BIV-11U/3BIV-11U_decoys.pdbqt | data/3B/3BIV-11U/3BIV-11U_decoy_scores.csv |
3BLT-PSY | data/3B/3BLT-PSY/3BLT-PSY_ligand.pdbqt | data/3B/3BLT-PSY/3BLT-PSY_target.pdbqt | data/3B/3BLT-PSY/3BLT-PSY_decoys.pdbqt | data/3B/3BLT-PSY/3BLT-PSY_decoy_scores.csv |
3B5J-12D | data/3B/3B5J-12D/3B5J-12D_ligand.pdbqt | data/3B/3B5J-12D/3B5J-12D_target.pdbqt | data/3B/3B5J-12D/3B5J-12D_decoys.pdbqt | data/3B/3B5J-12D/3B5J-12D_decoy_scores.csv |
3BJU-ATP | data/3B/3BJU-ATP/3BJU-ATP_ligand.pdbqt | data/3B/3BJU-ATP/3BJU-ATP_target.pdbqt | data/3B/3BJU-ATP/3BJU-ATP_decoys.pdbqt | data/3B/3BJU-ATP/3BJU-ATP_decoy_scores.csv |
3BB8-BEN | data/3B/3BB8-BEN/3BB8-BEN_ligand.pdbqt | data/3B/3BB8-BEN/3BB8-BEN_target.pdbqt | data/3B/3BB8-BEN/3BB8-BEN_decoys.pdbqt | data/3B/3BB8-BEN/3BB8-BEN_decoy_scores.csv |
3B6P-TMP | data/3B/3B6P-TMP/3B6P-TMP_ligand.pdbqt | data/3B/3B6P-TMP/3B6P-TMP_target.pdbqt | data/3B/3B6P-TMP/3B6P-TMP_decoys.pdbqt | data/3B/3B6P-TMP/3B6P-TMP_decoy_scores.csv |
3BTO-SSB | data/3B/3BTO-SSB/3BTO-SSB_ligand.pdbqt | data/3B/3BTO-SSB/3BTO-SSB_target.pdbqt | data/3B/3BTO-SSB/3BTO-SSB_decoys.pdbqt | data/3B/3BTO-SSB/3BTO-SSB_decoy_scores.csv |
3BHL-THG | data/3B/3BHL-THG/3BHL-THG_ligand.pdbqt | data/3B/3BHL-THG/3BHL-THG_target.pdbqt | data/3B/3BHL-THG/3BHL-THG_decoys.pdbqt | data/3B/3BHL-THG/3BHL-THG_decoy_scores.csv |
3B6B-DGI | data/3B/3B6B-DGI/3B6B-DGI_ligand.pdbqt | data/3B/3B6B-DGI/3B6B-DGI_target.pdbqt | data/3B/3B6B-DGI/3B6B-DGI_decoys.pdbqt | data/3B/3B6B-DGI/3B6B-DGI_decoy_scores.csv |
3BE7-ARG | data/3B/3BE7-ARG/3BE7-ARG_ligand.pdbqt | data/3B/3BE7-ARG/3BE7-ARG_target.pdbqt | data/3B/3BE7-ARG/3BE7-ARG_decoys.pdbqt | data/3B/3BE7-ARG/3BE7-ARG_decoy_scores.csv |
3BHR-THG | data/3B/3BHR-THG/3BHR-THG_ligand.pdbqt | data/3B/3BHR-THG/3BHR-THG_target.pdbqt | data/3B/3BHR-THG/3BHR-THG_decoys.pdbqt | data/3B/3BHR-THG/3BHR-THG_decoy_scores.csv |
3BW4-FMN | data/3B/3BW4-FMN/3BW4-FMN_ligand.pdbqt | data/3B/3BW4-FMN/3BW4-FMN_target.pdbqt | data/3B/3BW4-FMN/3BW4-FMN_decoys.pdbqt | data/3B/3BW4-FMN/3BW4-FMN_decoy_scores.csv |
3BGD-PM6 | data/3B/3BGD-PM6/3BGD-PM6_ligand.pdbqt | data/3B/3BGD-PM6/3BGD-PM6_target.pdbqt | data/3B/3BGD-PM6/3BGD-PM6_decoys.pdbqt | data/3B/3BGD-PM6/3BGD-PM6_decoy_scores.csv |
3B7D-CNI | data/3B/3B7D-CNI/3B7D-CNI_ligand.pdbqt | data/3B/3B7D-CNI/3B7D-CNI_target.pdbqt | data/3B/3B7D-CNI/3B7D-CNI_decoys.pdbqt | data/3B/3B7D-CNI/3B7D-CNI_decoy_scores.csv |
3B2S-B2S | data/3B/3B2S-B2S/3B2S-B2S_ligand.pdbqt | data/3B/3B2S-B2S/3B2S-B2S_target.pdbqt | data/3B/3B2S-B2S/3B2S-B2S_decoys.pdbqt | data/3B/3B2S-B2S/3B2S-B2S_decoy_scores.csv |
3BWM-DNC | data/3B/3BWM-DNC/3BWM-DNC_ligand.pdbqt | data/3B/3BWM-DNC/3BWM-DNC_target.pdbqt | data/3B/3BWM-DNC/3BWM-DNC_decoys.pdbqt | data/3B/3BWM-DNC/3BWM-DNC_decoy_scores.csv |
3BFT-S2P | data/3B/3BFT-S2P/3BFT-S2P_ligand.pdbqt | data/3B/3BFT-S2P/3BFT-S2P_target.pdbqt | data/3B/3BFT-S2P/3BFT-S2P_decoys.pdbqt | data/3B/3BFT-S2P/3BFT-S2P_decoy_scores.csv |
3BI4-298 | data/3B/3BI4-298/3BI4-298_ligand.pdbqt | data/3B/3BI4-298/3BI4-298_target.pdbqt | data/3B/3BI4-298/3BI4-298_decoys.pdbqt | data/3B/3BI4-298/3BI4-298_decoy_scores.csv |
3B2I-PLM | data/3B/3B2I-PLM/3B2I-PLM_ligand.pdbqt | data/3B/3B2I-PLM/3B2I-PLM_target.pdbqt | data/3B/3B2I-PLM/3B2I-PLM_decoys.pdbqt | data/3B/3B2I-PLM/3B2I-PLM_decoy_scores.csv |
3B4Y-FLC | data/3B/3B4Y-FLC/3B4Y-FLC_ligand.pdbqt | data/3B/3B4Y-FLC/3B4Y-FLC_target.pdbqt | data/3B/3B4Y-FLC/3B4Y-FLC_decoys.pdbqt | data/3B/3B4Y-FLC/3B4Y-FLC_decoy_scores.csv |
3B67-B67 | data/3B/3B67-B67/3B67-B67_ligand.pdbqt | data/3B/3B67-B67/3B67-B67_target.pdbqt | data/3B/3B67-B67/3B67-B67_decoys.pdbqt | data/3B/3B67-B67/3B67-B67_decoy_scores.csv |
3B4P-3B4 | data/3B/3B4P-3B4/3B4P-3B4_ligand.pdbqt | data/3B/3B4P-3B4/3B4P-3B4_target.pdbqt | data/3B/3B4P-3B4/3B4P-3B4_decoys.pdbqt | data/3B/3B4P-3B4/3B4P-3B4_decoy_scores.csv |
3BFK-GDP | data/3B/3BFK-GDP/3BFK-GDP_ligand.pdbqt | data/3B/3BFK-GDP/3BFK-GDP_target.pdbqt | data/3B/3BFK-GDP/3BFK-GDP_decoys.pdbqt | data/3B/3BFK-GDP/3BFK-GDP_decoy_scores.csv |
3BD6-RDD | data/3B/3BD6-RDD/3BD6-RDD_ligand.pdbqt | data/3B/3BD6-RDD/3BD6-RDD_target.pdbqt | data/3B/3BD6-RDD/3BD6-RDD_decoys.pdbqt | data/3B/3BD6-RDD/3BD6-RDD_decoy_scores.csv |
3BF1-ADP | data/3B/3BF1-ADP/3BF1-ADP_ligand.pdbqt | data/3B/3BF1-ADP/3BF1-ADP_target.pdbqt | data/3B/3BF1-ADP/3BF1-ADP_decoys.pdbqt | data/3B/3BF1-ADP/3BF1-ADP_decoy_scores.csv |
3B9X-NOS | data/3B/3B9X-NOS/3B9X-NOS_ligand.pdbqt | data/3B/3B9X-NOS/3B9X-NOS_target.pdbqt | data/3B/3B9X-NOS/3B9X-NOS_decoys.pdbqt | data/3B/3B9X-NOS/3B9X-NOS_decoy_scores.csv |
3BRA-AEF | data/3B/3BRA-AEF/3BRA-AEF_ligand.pdbqt | data/3B/3BRA-AEF/3BRA-AEF_target.pdbqt | data/3B/3BRA-AEF/3BRA-AEF_decoys.pdbqt | data/3B/3BRA-AEF/3BRA-AEF_decoy_scores.csv |
3BEB-HJ3 | data/3B/3BEB-HJ3/3BEB-HJ3_ligand.pdbqt | data/3B/3BEB-HJ3/3BEB-HJ3_target.pdbqt | data/3B/3BEB-HJ3/3BEB-HJ3_decoys.pdbqt | data/3B/3BEB-HJ3/3BEB-HJ3_decoy_scores.csv |
3B9G-IMH | data/3B/3B9G-IMH/3B9G-IMH_ligand.pdbqt | data/3B/3B9G-IMH/3B9G-IMH_target.pdbqt | data/3B/3B9G-IMH/3B9G-IMH_decoys.pdbqt | data/3B/3B9G-IMH/3B9G-IMH_decoy_scores.csv |
3B7J-BEN | data/3B/3B7J-BEN/3B7J-BEN_ligand.pdbqt | data/3B/3B7J-BEN/3B7J-BEN_target.pdbqt | data/3B/3B7J-BEN/3B7J-BEN_decoys.pdbqt | data/3B/3B7J-BEN/3B7J-BEN_decoy_scores.csv |
3B7I-PLU | data/3B/3B7I-PLU/3B7I-PLU_ligand.pdbqt | data/3B/3B7I-PLU/3B7I-PLU_target.pdbqt | data/3B/3B7I-PLU/3B7I-PLU_decoys.pdbqt | data/3B/3B7I-PLU/3B7I-PLU_decoy_scores.csv |
3BD7-CKB | data/3B/3BD7-CKB/3BD7-CKB_ligand.pdbqt | data/3B/3BD7-CKB/3BD7-CKB_target.pdbqt | data/3B/3BD7-CKB/3BD7-CKB_decoys.pdbqt | data/3B/3BD7-CKB/3BD7-CKB_decoy_scores.csv |
3BI2-297 | data/3B/3BI2-297/3BI2-297_ligand.pdbqt | data/3B/3BI2-297/3BI2-297_target.pdbqt | data/3B/3BI2-297/3BI2-297_decoys.pdbqt | data/3B/3BI2-297/3BI2-297_decoy_scores.csv |
3BC4-LLG | data/3B/3BC4-LLG/3BC4-LLG_ligand.pdbqt | data/3B/3BC4-LLG/3BC4-LLG_target.pdbqt | data/3B/3BC4-LLG/3BC4-LLG_decoys.pdbqt | data/3B/3BC4-LLG/3BC4-LLG_decoy_scores.csv |
3BGX-MEF | data/3B/3BGX-MEF/3BGX-MEF_ligand.pdbqt | data/3B/3BGX-MEF/3BGX-MEF_target.pdbqt | data/3B/3BGX-MEF/3BGX-MEF_decoys.pdbqt | data/3B/3BGX-MEF/3BGX-MEF_decoy_scores.csv |
3BET-CTF | data/3B/3BET-CTF/3BET-CTF_ligand.pdbqt | data/3B/3BET-CTF/3BET-CTF_target.pdbqt | data/3B/3BET-CTF/3BET-CTF_decoys.pdbqt | data/3B/3BET-CTF/3BET-CTF_decoy_scores.csv |
3BI5-DIA | data/3B/3BI5-DIA/3BI5-DIA_ligand.pdbqt | data/3B/3BI5-DIA/3BI5-DIA_target.pdbqt | data/3B/3BI5-DIA/3BI5-DIA_decoys.pdbqt | data/3B/3BI5-DIA/3BI5-DIA_decoy_scores.csv |
3BJU-LYS | data/3B/3BJU-LYS/3BJU-LYS_ligand.pdbqt | data/3B/3BJU-LYS/3BJU-LYS_target.pdbqt | data/3B/3BJU-LYS/3BJU-LYS_decoys.pdbqt | data/3B/3BJU-LYS/3BJU-LYS_decoy_scores.csv |
3B6J-AMP | data/3B/3B6J-AMP/3B6J-AMP_ligand.pdbqt | data/3B/3B6J-AMP/3B6J-AMP_target.pdbqt | data/3B/3B6J-AMP/3B6J-AMP_decoys.pdbqt | data/3B/3B6J-AMP/3B6J-AMP_decoy_scores.csv |
3BC5-ZAA | data/3B/3BC5-ZAA/3BC5-ZAA_ligand.pdbqt | data/3B/3BC5-ZAA/3BC5-ZAA_target.pdbqt | data/3B/3BC5-ZAA/3BC5-ZAA_decoys.pdbqt | data/3B/3BC5-ZAA/3BC5-ZAA_decoy_scores.csv |
3BL6-FMC | data/3B/3BL6-FMC/3BL6-FMC_ligand.pdbqt | data/3B/3BL6-FMC/3BL6-FMC_target.pdbqt | data/3B/3BL6-FMC/3BL6-FMC_decoys.pdbqt | data/3B/3BL6-FMC/3BL6-FMC_decoy_scores.csv |
3BKS-PLM | data/3B/3BKS-PLM/3BKS-PLM_ligand.pdbqt | data/3B/3BKS-PLM/3BKS-PLM_target.pdbqt | data/3B/3BKS-PLM/3BKS-PLM_decoys.pdbqt | data/3B/3BKS-PLM/3BKS-PLM_decoy_scores.csv |
3B45-BNG | data/3B/3B45-BNG/3B45-BNG_ligand.pdbqt | data/3B/3B45-BNG/3B45-BNG_target.pdbqt | data/3B/3B45-BNG/3B45-BNG_decoys.pdbqt | data/3B/3B45-BNG/3B45-BNG_decoy_scores.csv |
3B0Q-MC5 | data/3B/3B0Q-MC5/3B0Q-MC5_ligand.pdbqt | data/3B/3B0Q-MC5/3B0Q-MC5_target.pdbqt | data/3B/3B0Q-MC5/3B0Q-MC5_decoys.pdbqt | data/3B/3B0Q-MC5/3B0Q-MC5_decoy_scores.csv |
3BYX-UMP | data/3B/3BYX-UMP/3BYX-UMP_ligand.pdbqt | data/3B/3BYX-UMP/3BYX-UMP_target.pdbqt | data/3B/3BYX-UMP/3BYX-UMP_decoys.pdbqt | data/3B/3BYX-UMP/3BYX-UMP_decoy_scores.csv |
3BW3-FMN | data/3B/3BW3-FMN/3BW3-FMN_ligand.pdbqt | data/3B/3BW3-FMN/3BW3-FMN_target.pdbqt | data/3B/3BW3-FMN/3BW3-FMN_decoys.pdbqt | data/3B/3BW3-FMN/3BW3-FMN_decoy_scores.csv |
3BXS-DRS | data/3B/3BXS-DRS/3BXS-DRS_ligand.pdbqt | data/3B/3BXS-DRS/3BXS-DRS_target.pdbqt | data/3B/3BXS-DRS/3BXS-DRS_decoys.pdbqt | data/3B/3BXS-DRS/3BXS-DRS_decoy_scores.csv |
3BM4-ADV | data/3B/3BM4-ADV/3BM4-ADV_ligand.pdbqt | data/3B/3BM4-ADV/3BM4-ADV_target.pdbqt | data/3B/3BM4-ADV/3BM4-ADV_decoys.pdbqt | data/3B/3BM4-ADV/3BM4-ADV_decoy_scores.csv |
3BEL-POX | data/3B/3BEL-POX/3BEL-POX_ligand.pdbqt | data/3B/3BEL-POX/3BEL-POX_target.pdbqt | data/3B/3BEL-POX/3BEL-POX_decoys.pdbqt | data/3B/3BEL-POX/3BEL-POX_decoy_scores.csv |
3BDJ-141 | data/3B/3BDJ-141/3BDJ-141_ligand.pdbqt | data/3B/3BDJ-141/3BDJ-141_target.pdbqt | null | null |
3BCU-THM | data/3B/3BCU-THM/3BCU-THM_ligand.pdbqt | data/3B/3BCU-THM/3BCU-THM_target.pdbqt | data/3B/3BCU-THM/3BCU-THM_decoys.pdbqt | data/3B/3BCU-THM/3BCU-THM_decoy_scores.csv |
3B2T-M33 | data/3B/3B2T-M33/3B2T-M33_ligand.pdbqt | data/3B/3B2T-M33/3B2T-M33_target.pdbqt | data/3B/3B2T-M33/3B2T-M33_decoys.pdbqt | data/3B/3B2T-M33/3B2T-M33_decoy_scores.csv |
3BWL-I3A | data/3B/3BWL-I3A/3BWL-I3A_ligand.pdbqt | data/3B/3BWL-I3A/3BWL-I3A_target.pdbqt | data/3B/3BWL-I3A/3BWL-I3A_decoys.pdbqt | data/3B/3BWL-I3A/3BWL-I3A_decoy_scores.csv |
3B3X-A33 | data/3B/3B3X-A33/3B3X-A33_ligand.pdbqt | data/3B/3B3X-A33/3B3X-A33_target.pdbqt | data/3B/3B3X-A33/3B3X-A33_decoys.pdbqt | data/3B/3B3X-A33/3B3X-A33_decoy_scores.csv |
3BA8-NMN | data/3B/3BA8-NMN/3BA8-NMN_ligand.pdbqt | data/3B/3BA8-NMN/3BA8-NMN_target.pdbqt | data/3B/3BA8-NMN/3BA8-NMN_decoys.pdbqt | data/3B/3BA8-NMN/3BA8-NMN_decoy_scores.csv |
3B7L-M0N | data/3B/3B7L-M0N/3B7L-M0N_ligand.pdbqt | data/3B/3B7L-M0N/3B7L-M0N_target.pdbqt | data/3B/3B7L-M0N/3B7L-M0N_decoys.pdbqt | data/3B/3B7L-M0N/3B7L-M0N_decoy_scores.csv |
3BLD-PRF | data/3B/3BLD-PRF/3BLD-PRF_ligand.pdbqt | data/3B/3BLD-PRF/3BLD-PRF_target.pdbqt | data/3B/3BLD-PRF/3BLD-PRF_decoys.pdbqt | data/3B/3BLD-PRF/3BLD-PRF_decoy_scores.csv |
3B1U-YFF | data/3B/3B1U-YFF/3B1U-YFF_ligand.pdbqt | data/3B/3B1U-YFF/3B1U-YFF_target.pdbqt | data/3B/3B1U-YFF/3B1U-YFF_decoys.pdbqt | data/3B/3B1U-YFF/3B1U-YFF_decoy_scores.csv |
3BTO-NAD | data/3B/3BTO-NAD/3BTO-NAD_ligand.pdbqt | data/3B/3BTO-NAD/3BTO-NAD_target.pdbqt | data/3B/3BTO-NAD/3BTO-NAD_decoys.pdbqt | data/3B/3BTO-NAD/3BTO-NAD_decoy_scores.csv |
3BEX-PAU | data/3B/3BEX-PAU/3BEX-PAU_ligand.pdbqt | data/3B/3BEX-PAU/3BEX-PAU_target.pdbqt | data/3B/3BEX-PAU/3BEX-PAU_decoys.pdbqt | data/3B/3BEX-PAU/3BEX-PAU_decoy_scores.csv |
3BW2-FMN | data/3B/3BW2-FMN/3BW2-FMN_ligand.pdbqt | data/3B/3BW2-FMN/3BW2-FMN_target.pdbqt | data/3B/3BW2-FMN/3BW2-FMN_decoys.pdbqt | data/3B/3BW2-FMN/3BW2-FMN_decoy_scores.csv |
3BWN-PMP | data/3B/3BWN-PMP/3BWN-PMP_ligand.pdbqt | data/3B/3BWN-PMP/3BWN-PMP_target.pdbqt | data/3B/3BWN-PMP/3BWN-PMP_decoys.pdbqt | data/3B/3BWN-PMP/3BWN-PMP_decoy_scores.csv |
3B3O-H4B | data/3B/3B3O-H4B/3B3O-H4B_ligand.pdbqt | data/3B/3B3O-H4B/3B3O-H4B_target.pdbqt | data/3B/3B3O-H4B/3B3O-H4B_decoys.pdbqt | data/3B/3B3O-H4B/3B3O-H4B_decoy_scores.csv |
3B75-FRU | data/3B/3B75-FRU/3B75-FRU_ligand.pdbqt | data/3B/3B75-FRU/3B75-FRU_target.pdbqt | data/3B/3B75-FRU/3B75-FRU_decoys.pdbqt | data/3B/3B75-FRU/3B75-FRU_decoy_scores.csv |
3BEU-BEN | data/3B/3BEU-BEN/3BEU-BEN_ligand.pdbqt | data/3B/3BEU-BEN/3BEU-BEN_target.pdbqt | data/3B/3BEU-BEN/3BEU-BEN_decoys.pdbqt | data/3B/3BEU-BEN/3BEU-BEN_decoy_scores.csv |
3B05-IPE | data/3B/3B05-IPE/3B05-IPE_ligand.pdbqt | data/3B/3B05-IPE/3B05-IPE_target.pdbqt | data/3B/3B05-IPE/3B05-IPE_decoys.pdbqt | data/3B/3B05-IPE/3B05-IPE_decoy_scores.csv |
3BXH-F6P | data/3B/3BXH-F6P/3BXH-F6P_ligand.pdbqt | data/3B/3BXH-F6P/3BXH-F6P_target.pdbqt | data/3B/3BXH-F6P/3BXH-F6P_decoys.pdbqt | data/3B/3BXH-F6P/3BXH-F6P_decoy_scores.csv |
3BHE-BZN | data/3B/3BHE-BZN/3BHE-BZN_ligand.pdbqt | data/3B/3BHE-BZN/3BHE-BZN_target.pdbqt | data/3B/3BHE-BZN/3BHE-BZN_decoys.pdbqt | data/3B/3BHE-BZN/3BHE-BZN_decoy_scores.csv |
3B1V-GGM | data/3B/3B1V-GGM/3B1V-GGM_ligand.pdbqt | data/3B/3B1V-GGM/3B1V-GGM_target.pdbqt | data/3B/3B1V-GGM/3B1V-GGM_decoys.pdbqt | data/3B/3B1V-GGM/3B1V-GGM_decoy_scores.csv |
3BL1-BL1 | data/3B/3BL1-BL1/3BL1-BL1_ligand.pdbqt | data/3B/3BL1-BL1/3BL1-BL1_target.pdbqt | data/3B/3BL1-BL1/3BL1-BL1_decoys.pdbqt | data/3B/3BL1-BL1/3BL1-BL1_decoy_scores.csv |
3B1J-NAD | data/3B/3B1J-NAD/3B1J-NAD_ligand.pdbqt | data/3B/3B1J-NAD/3B1J-NAD_target.pdbqt | data/3B/3B1J-NAD/3B1J-NAD_decoys.pdbqt | data/3B/3B1J-NAD/3B1J-NAD_decoy_scores.csv |
3BZU-A21 | data/3B/3BZU-A21/3BZU-A21_ligand.pdbqt | data/3B/3BZU-A21/3BZU-A21_target.pdbqt | data/3B/3BZU-A21/3BZU-A21_decoys.pdbqt | data/3B/3BZU-A21/3BZU-A21_decoy_scores.csv |
3BHR-NDU | data/3B/3BHR-NDU/3BHR-NDU_ligand.pdbqt | data/3B/3BHR-NDU/3BHR-NDU_target.pdbqt | data/3B/3BHR-NDU/3BHR-NDU_decoys.pdbqt | data/3B/3BHR-NDU/3BHR-NDU_decoy_scores.csv |
3BHT-MFR | data/3B/3BHT-MFR/3BHT-MFR_ligand.pdbqt | data/3B/3BHT-MFR/3BHT-MFR_target.pdbqt | data/3B/3BHT-MFR/3BHT-MFR_decoys.pdbqt | data/3B/3BHT-MFR/3BHT-MFR_decoy_scores.csv |
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