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 ⌀ |
|---|---|---|---|---|
3BEC-HJ2 | data/3B/3BEC-HJ2/3BEC-HJ2_ligand.pdbqt | data/3B/3BEC-HJ2/3BEC-HJ2_target.pdbqt | data/3B/3BEC-HJ2/3BEC-HJ2_decoys.pdbqt | data/3B/3BEC-HJ2/3BEC-HJ2_decoy_scores.csv |
3B2W-9NH | data/3B/3B2W-9NH/3B2W-9NH_ligand.pdbqt | data/3B/3B2W-9NH/3B2W-9NH_target.pdbqt | data/3B/3B2W-9NH/3B2W-9NH_decoys.pdbqt | data/3B/3B2W-9NH/3B2W-9NH_decoy_scores.csv |
3B6K-FMN | data/3B/3B6K-FMN/3B6K-FMN_ligand.pdbqt | data/3B/3B6K-FMN/3B6K-FMN_target.pdbqt | data/3B/3B6K-FMN/3B6K-FMN_decoys.pdbqt | data/3B/3B6K-FMN/3B6K-FMN_decoy_scores.csv |
3B3M-JI1 | data/3B/3B3M-JI1/3B3M-JI1_ligand.pdbqt | data/3B/3B3M-JI1/3B3M-JI1_target.pdbqt | data/3B/3B3M-JI1/3B3M-JI1_decoys.pdbqt | data/3B/3B3M-JI1/3B3M-JI1_decoy_scores.csv |
3BCS-CJB | data/3B/3BCS-CJB/3BCS-CJB_ligand.pdbqt | data/3B/3BCS-CJB/3BCS-CJB_target.pdbqt | data/3B/3BCS-CJB/3BCS-CJB_decoys.pdbqt | data/3B/3BCS-CJB/3BCS-CJB_decoy_scores.csv |
3B1Q-P33 | data/3B/3B1Q-P33/3B1Q-P33_ligand.pdbqt | data/3B/3B1Q-P33/3B1Q-P33_target.pdbqt | data/3B/3B1Q-P33/3B1Q-P33_decoys.pdbqt | data/3B/3B1Q-P33/3B1Q-P33_decoy_scores.csv |
3B92-440 | data/3B/3B92-440/3B92-440_ligand.pdbqt | data/3B/3B92-440/3B92-440_target.pdbqt | data/3B/3B92-440/3B92-440_decoys.pdbqt | data/3B/3B92-440/3B92-440_decoy_scores.csv |
3BAB-3BD | data/3B/3BAB-3BD/3BAB-3BD_ligand.pdbqt | data/3B/3BAB-3BD/3BAB-3BD_target.pdbqt | data/3B/3BAB-3BD/3BAB-3BD_decoys.pdbqt | data/3B/3BAB-3BD/3BAB-3BD_decoy_scores.csv |
3BMO-AX4 | data/3B/3BMO-AX4/3BMO-AX4_ligand.pdbqt | data/3B/3BMO-AX4/3BMO-AX4_target.pdbqt | data/3B/3BMO-AX4/3BMO-AX4_decoys.pdbqt | data/3B/3BMO-AX4/3BMO-AX4_decoy_scores.csv |
3B1Q-NOS | data/3B/3B1Q-NOS/3B1Q-NOS_ligand.pdbqt | data/3B/3B1Q-NOS/3B1Q-NOS_target.pdbqt | data/3B/3B1Q-NOS/3B1Q-NOS_decoys.pdbqt | data/3B/3B1Q-NOS/3B1Q-NOS_decoy_scores.csv |
3BXO-UPP | data/3B/3BXO-UPP/3BXO-UPP_ligand.pdbqt | data/3B/3BXO-UPP/3BXO-UPP_target.pdbqt | data/3B/3BXO-UPP/3BXO-UPP_decoys.pdbqt | data/3B/3BXO-UPP/3BXO-UPP_decoy_scores.csv |
3BBF-GDP | data/3B/3BBF-GDP/3BBF-GDP_ligand.pdbqt | data/3B/3BBF-GDP/3BBF-GDP_target.pdbqt | data/3B/3BBF-GDP/3BBF-GDP_decoys.pdbqt | data/3B/3BBF-GDP/3BBF-GDP_decoy_scores.csv |
3BYM-AM0 | data/3B/3BYM-AM0/3BYM-AM0_ligand.pdbqt | data/3B/3BYM-AM0/3BYM-AM0_target.pdbqt | data/3B/3BYM-AM0/3BYM-AM0_decoys.pdbqt | data/3B/3BYM-AM0/3BYM-AM0_decoy_scores.csv |
3BJC-WAN | data/3B/3BJC-WAN/3BJC-WAN_ligand.pdbqt | data/3B/3BJC-WAN/3BJC-WAN_target.pdbqt | data/3B/3BJC-WAN/3BJC-WAN_decoys.pdbqt | data/3B/3BJC-WAN/3BJC-WAN_decoy_scores.csv |
3BF1-PAU | data/3B/3BF1-PAU/3BF1-PAU_ligand.pdbqt | data/3B/3BF1-PAU/3BF1-PAU_target.pdbqt | data/3B/3BF1-PAU/3BF1-PAU_decoys.pdbqt | data/3B/3BF1-PAU/3BF1-PAU_decoy_scores.csv |
3BQR-4RB | data/3B/3BQR-4RB/3BQR-4RB_ligand.pdbqt | data/3B/3BQR-4RB/3BQR-4RB_target.pdbqt | data/3B/3BQR-4RB/3BQR-4RB_decoys.pdbqt | data/3B/3BQR-4RB/3BQR-4RB_decoy_scores.csv |
3BFA-9OD | data/3B/3BFA-9OD/3BFA-9OD_ligand.pdbqt | data/3B/3BFA-9OD/3BFA-9OD_target.pdbqt | data/3B/3BFA-9OD/3BFA-9OD_decoys.pdbqt | data/3B/3BFA-9OD/3BFA-9OD_decoy_scores.csv |
3BRB-ADP | data/3B/3BRB-ADP/3BRB-ADP_ligand.pdbqt | data/3B/3BRB-ADP/3BRB-ADP_target.pdbqt | data/3B/3BRB-ADP/3BRB-ADP_decoys.pdbqt | data/3B/3BRB-ADP/3BRB-ADP_decoy_scores.csv |
3BFF-FPM | data/3B/3BFF-FPM/3BFF-FPM_ligand.pdbqt | data/3B/3BFF-FPM/3BFF-FPM_target.pdbqt | data/3B/3BFF-FPM/3BFF-FPM_decoys.pdbqt | data/3B/3BFF-FPM/3BFF-FPM_decoy_scores.csv |
3BC1-GNP | data/3B/3BC1-GNP/3BC1-GNP_ligand.pdbqt | data/3B/3BC1-GNP/3BC1-GNP_target.pdbqt | data/3B/3BC1-GNP/3BC1-GNP_decoys.pdbqt | data/3B/3BC1-GNP/3BC1-GNP_decoy_scores.csv |
3B5R-B5R | data/3B/3B5R-B5R/3B5R-B5R_ligand.pdbqt | data/3B/3B5R-B5R/3B5R-B5R_target.pdbqt | data/3B/3B5R-B5R/3B5R-B5R_decoys.pdbqt | data/3B/3B5R-B5R/3B5R-B5R_decoy_scores.csv |
3BH7-GDP | data/3B/3BH7-GDP/3BH7-GDP_ligand.pdbqt | data/3B/3BH7-GDP/3BH7-GDP_target.pdbqt | null | null |
3B6C-SDN | data/3B/3B6C-SDN/3B6C-SDN_ligand.pdbqt | data/3B/3B6C-SDN/3B6C-SDN_target.pdbqt | data/3B/3B6C-SDN/3B6C-SDN_decoys.pdbqt | data/3B/3B6C-SDN/3B6C-SDN_decoy_scores.csv |
3BL9-DD2 | data/3B/3BL9-DD2/3BL9-DD2_ligand.pdbqt | data/3B/3BL9-DD2/3BL9-DD2_target.pdbqt | data/3B/3BL9-DD2/3BL9-DD2_decoys.pdbqt | data/3B/3BL9-DD2/3BL9-DD2_decoy_scores.csv |
3BXD-INS | data/3B/3BXD-INS/3BXD-INS_ligand.pdbqt | data/3B/3BXD-INS/3BXD-INS_target.pdbqt | data/3B/3BXD-INS/3BXD-INS_decoys.pdbqt | data/3B/3BXD-INS/3BXD-INS_decoy_scores.csv |
3BHJ-AB3 | data/3B/3BHJ-AB3/3BHJ-AB3_ligand.pdbqt | data/3B/3BHJ-AB3/3BHJ-AB3_target.pdbqt | data/3B/3BHJ-AB3/3BHJ-AB3_decoys.pdbqt | data/3B/3BHJ-AB3/3BHJ-AB3_decoy_scores.csv |
3BXO-SAM | data/3B/3BXO-SAM/3BXO-SAM_ligand.pdbqt | data/3B/3BXO-SAM/3BXO-SAM_target.pdbqt | data/3B/3BXO-SAM/3BXO-SAM_decoys.pdbqt | data/3B/3BXO-SAM/3BXO-SAM_decoy_scores.csv |
3B9S-RW1 | data/3B/3B9S-RW1/3B9S-RW1_ligand.pdbqt | data/3B/3B9S-RW1/3B9S-RW1_target.pdbqt | data/3B/3B9S-RW1/3B9S-RW1_decoys.pdbqt | data/3B/3B9S-RW1/3B9S-RW1_decoy_scores.csv |
3BHU-MHR | data/3B/3BHU-MHR/3BHU-MHR_ligand.pdbqt | data/3B/3BHU-MHR/3BHU-MHR_target.pdbqt | data/3B/3BHU-MHR/3BHU-MHR_decoys.pdbqt | data/3B/3BHU-MHR/3BHU-MHR_decoy_scores.csv |
3BE9-P04 | data/3B/3BE9-P04/3BE9-P04_ligand.pdbqt | data/3B/3BE9-P04/3BE9-P04_target.pdbqt | data/3B/3BE9-P04/3BE9-P04_decoys.pdbqt | data/3B/3BE9-P04/3BE9-P04_decoy_scores.csv |
3BHY-7CP | data/3B/3BHY-7CP/3BHY-7CP_ligand.pdbqt | data/3B/3BHY-7CP/3BHY-7CP_target.pdbqt | data/3B/3BHY-7CP/3BHY-7CP_decoys.pdbqt | data/3B/3BHY-7CP/3BHY-7CP_decoy_scores.csv |
3B30-MPO | data/3B/3B30-MPO/3B30-MPO_ligand.pdbqt | data/3B/3B30-MPO/3B30-MPO_target.pdbqt | data/3B/3B30-MPO/3B30-MPO_decoys.pdbqt | data/3B/3B30-MPO/3B30-MPO_decoy_scores.csv |
3BHJ-P33 | data/3B/3BHJ-P33/3BHJ-P33_ligand.pdbqt | data/3B/3BHJ-P33/3BHJ-P33_target.pdbqt | data/3B/3BHJ-P33/3BHJ-P33_decoys.pdbqt | data/3B/3BHJ-P33/3BHJ-P33_decoy_scores.csv |
3BHH-5CP | data/3B/3BHH-5CP/3BHH-5CP_ligand.pdbqt | data/3B/3BHH-5CP/3BHH-5CP_target.pdbqt | data/3B/3BHH-5CP/3BHH-5CP_decoys.pdbqt | data/3B/3BHH-5CP/3BHH-5CP_decoy_scores.csv |
3BBD-SAH | data/3B/3BBD-SAH/3BBD-SAH_ligand.pdbqt | data/3B/3BBD-SAH/3BBD-SAH_target.pdbqt | data/3B/3BBD-SAH/3BBD-SAH_decoys.pdbqt | data/3B/3BBD-SAH/3BBD-SAH_decoy_scores.csv |
3BS8-PMP | data/3B/3BS8-PMP/3BS8-PMP_ligand.pdbqt | data/3B/3BS8-PMP/3BS8-PMP_target.pdbqt | data/3B/3BS8-PMP/3BS8-PMP_decoys.pdbqt | data/3B/3BS8-PMP/3BS8-PMP_decoy_scores.csv |
3B1P-ADP | data/3B/3B1P-ADP/3B1P-ADP_ligand.pdbqt | data/3B/3B1P-ADP/3B1P-ADP_target.pdbqt | data/3B/3B1P-ADP/3B1P-ADP_decoys.pdbqt | data/3B/3B1P-ADP/3B1P-ADP_decoy_scores.csv |
3BDK-DNO | data/3B/3BDK-DNO/3BDK-DNO_ligand.pdbqt | data/3B/3BDK-DNO/3BDK-DNO_target.pdbqt | data/3B/3BDK-DNO/3BDK-DNO_decoys.pdbqt | data/3B/3BDK-DNO/3BDK-DNO_decoy_scores.csv |
3BEM-FMN | data/3B/3BEM-FMN/3BEM-FMN_ligand.pdbqt | data/3B/3BEM-FMN/3BEM-FMN_target.pdbqt | data/3B/3BEM-FMN/3BEM-FMN_decoys.pdbqt | data/3B/3BEM-FMN/3BEM-FMN_decoy_scores.csv |
3B34-PHE | data/3B/3B34-PHE/3B34-PHE_ligand.pdbqt | data/3B/3B34-PHE/3B34-PHE_target.pdbqt | data/3B/3B34-PHE/3B34-PHE_decoys.pdbqt | data/3B/3B34-PHE/3B34-PHE_decoy_scores.csv |
3BRM-ONL | data/3B/3BRM-ONL/3BRM-ONL_ligand.pdbqt | data/3B/3BRM-ONL/3BRM-ONL_target.pdbqt | data/3B/3BRM-ONL/3BRM-ONL_decoys.pdbqt | data/3B/3BRM-ONL/3BRM-ONL_decoy_scores.csv |
3B75-GLC | data/3B/3B75-GLC/3B75-GLC_ligand.pdbqt | data/3B/3B75-GLC/3B75-GLC_target.pdbqt | data/3B/3B75-GLC/3B75-GLC_decoys.pdbqt | data/3B/3B75-GLC/3B75-GLC_decoy_scores.csv |
3B2K-PLM | data/3B/3B2K-PLM/3B2K-PLM_ligand.pdbqt | data/3B/3B2K-PLM/3B2K-PLM_target.pdbqt | data/3B/3B2K-PLM/3B2K-PLM_decoys.pdbqt | data/3B/3B2K-PLM/3B2K-PLM_decoy_scores.csv |
3B4F-TUO | data/3B/3B4F-TUO/3B4F-TUO_ligand.pdbqt | data/3B/3B4F-TUO/3B4F-TUO_target.pdbqt | data/3B/3B4F-TUO/3B4F-TUO_decoys.pdbqt | data/3B/3B4F-TUO/3B4F-TUO_decoy_scores.csv |
3BQC-EMO | data/3B/3BQC-EMO/3BQC-EMO_ligand.pdbqt | data/3B/3BQC-EMO/3BQC-EMO_target.pdbqt | data/3B/3BQC-EMO/3BQC-EMO_decoys.pdbqt | data/3B/3BQC-EMO/3BQC-EMO_decoy_scores.csv |
3B56-DIU | data/3B/3B56-DIU/3B56-DIU_ligand.pdbqt | data/3B/3B56-DIU/3B56-DIU_target.pdbqt | data/3B/3B56-DIU/3B56-DIU_decoys.pdbqt | data/3B/3B56-DIU/3B56-DIU_decoy_scores.csv |
3BFI-NDU | data/3B/3BFI-NDU/3BFI-NDU_ligand.pdbqt | data/3B/3BFI-NDU/3BFI-NDU_target.pdbqt | data/3B/3BFI-NDU/3BFI-NDU_decoys.pdbqt | data/3B/3BFI-NDU/3BFI-NDU_decoy_scores.csv |
3BD9-A3P | data/3B/3BD9-A3P/3BD9-A3P_ligand.pdbqt | data/3B/3BD9-A3P/3BD9-A3P_target.pdbqt | data/3B/3BD9-A3P/3BD9-A3P_decoys.pdbqt | data/3B/3BD9-A3P/3BD9-A3P_decoy_scores.csv |
3BFU-R2P | data/3B/3BFU-R2P/3BFU-R2P_ligand.pdbqt | data/3B/3BFU-R2P/3BFU-R2P_target.pdbqt | data/3B/3BFU-R2P/3BFU-R2P_decoys.pdbqt | data/3B/3BFU-R2P/3BFU-R2P_decoy_scores.csv |
3BSS-UD4 | data/3B/3BSS-UD4/3BSS-UD4_ligand.pdbqt | data/3B/3BSS-UD4/3BSS-UD4_target.pdbqt | data/3B/3BSS-UD4/3BSS-UD4_decoys.pdbqt | data/3B/3BSS-UD4/3BSS-UD4_decoy_scores.csv |
3BBR-GLU | data/3B/3BBR-GLU/3BBR-GLU_ligand.pdbqt | data/3B/3BBR-GLU/3BBR-GLU_target.pdbqt | data/3B/3BBR-GLU/3BBR-GLU_decoys.pdbqt | data/3B/3BBR-GLU/3BBR-GLU_decoy_scores.csv |
3BPX-SAL | data/3B/3BPX-SAL/3BPX-SAL_ligand.pdbqt | data/3B/3BPX-SAL/3BPX-SAL_target.pdbqt | data/3B/3BPX-SAL/3BPX-SAL_decoys.pdbqt | data/3B/3BPX-SAL/3BPX-SAL_decoy_scores.csv |
3B3F-SAH | data/3B/3B3F-SAH/3B3F-SAH_ligand.pdbqt | data/3B/3B3F-SAH/3B3F-SAH_target.pdbqt | data/3B/3B3F-SAH/3B3F-SAH_decoys.pdbqt | data/3B/3B3F-SAH/3B3F-SAH_decoy_scores.csv |
3BJH-NBB | data/3B/3BJH-NBB/3BJH-NBB_ligand.pdbqt | data/3B/3BJH-NBB/3BJH-NBB_target.pdbqt | data/3B/3BJH-NBB/3BJH-NBB_decoys.pdbqt | data/3B/3BJH-NBB/3BJH-NBB_decoy_scores.csv |
3BOS-CDP | data/3B/3BOS-CDP/3BOS-CDP_ligand.pdbqt | data/3B/3BOS-CDP/3BOS-CDP_target.pdbqt | data/3B/3BOS-CDP/3BOS-CDP_decoys.pdbqt | data/3B/3BOS-CDP/3BOS-CDP_decoy_scores.csv |
3BD8-C3B | data/3B/3BD8-C3B/3BD8-C3B_ligand.pdbqt | data/3B/3BD8-C3B/3BD8-C3B_target.pdbqt | data/3B/3BD8-C3B/3BD8-C3B_decoys.pdbqt | data/3B/3BD8-C3B/3BD8-C3B_decoy_scores.csv |
3BDC-THP | data/3B/3BDC-THP/3BDC-THP_ligand.pdbqt | data/3B/3BDC-THP/3BDC-THP_target.pdbqt | data/3B/3BDC-THP/3BDC-THP_decoys.pdbqt | data/3B/3BDC-THP/3BDC-THP_decoy_scores.csv |
3B6I-FMN | data/3B/3B6I-FMN/3B6I-FMN_ligand.pdbqt | data/3B/3B6I-FMN/3B6I-FMN_target.pdbqt | data/3B/3B6I-FMN/3B6I-FMN_decoys.pdbqt | data/3B/3B6I-FMN/3B6I-FMN_decoy_scores.csv |
3BEN-LEH | data/3B/3BEN-LEH/3BEN-LEH_ligand.pdbqt | data/3B/3BEN-LEH/3BEN-LEH_target.pdbqt | data/3B/3BEN-LEH/3BEN-LEH_decoys.pdbqt | data/3B/3BEN-LEH/3BEN-LEH_decoy_scores.csv |
3B2L-PLM | data/3B/3B2L-PLM/3B2L-PLM_ligand.pdbqt | data/3B/3B2L-PLM/3B2L-PLM_target.pdbqt | data/3B/3B2L-PLM/3B2L-PLM_decoys.pdbqt | data/3B/3B2L-PLM/3B2L-PLM_decoy_scores.csv |
3BZ8-BL6 | data/3B/3BZ8-BL6/3BZ8-BL6_ligand.pdbqt | data/3B/3BZ8-BL6/3BZ8-BL6_target.pdbqt | null | null |
3BA8-3B8 | data/3B/3BA8-3B8/3BA8-3B8_ligand.pdbqt | data/3B/3BA8-3B8/3BA8-3B8_target.pdbqt | data/3B/3BA8-3B8/3BA8-3B8_decoys.pdbqt | data/3B/3BA8-3B8/3BA8-3B8_decoy_scores.csv |
3BWY-DNC | data/3B/3BWY-DNC/3BWY-DNC_ligand.pdbqt | data/3B/3BWY-DNC/3BWY-DNC_target.pdbqt | data/3B/3BWY-DNC/3BWY-DNC_decoys.pdbqt | data/3B/3BWY-DNC/3BWY-DNC_decoy_scores.csv |
3BZ7-BL4 | data/3B/3BZ7-BL4/3BZ7-BL4_ligand.pdbqt | data/3B/3BZ7-BL4/3BZ7-BL4_target.pdbqt | null | null |
3BGL-RID | data/3B/3BGL-RID/3BGL-RID_ligand.pdbqt | data/3B/3BGL-RID/3BGL-RID_target.pdbqt | data/3B/3BGL-RID/3BGL-RID_decoys.pdbqt | data/3B/3BGL-RID/3BGL-RID_decoy_scores.csv |
3B66-B66 | data/3B/3B66-B66/3B66-B66_ligand.pdbqt | data/3B/3B66-B66/3B66-B66_target.pdbqt | data/3B/3B66-B66/3B66-B66_decoys.pdbqt | data/3B/3B66-B66/3B66-B66_decoy_scores.csv |
3BM9-BXZ | data/3B/3BM9-BXZ/3BM9-BXZ_ligand.pdbqt | data/3B/3BM9-BXZ/3BM9-BXZ_target.pdbqt | data/3B/3BM9-BXZ/3BM9-BXZ_decoys.pdbqt | data/3B/3BM9-BXZ/3BM9-BXZ_decoy_scores.csv |
3BPT-QUE | data/3B/3BPT-QUE/3BPT-QUE_ligand.pdbqt | data/3B/3BPT-QUE/3BPT-QUE_target.pdbqt | data/3B/3BPT-QUE/3BPT-QUE_decoys.pdbqt | data/3B/3BPT-QUE/3BPT-QUE_decoy_scores.csv |
3B3M-H4B | data/3B/3B3M-H4B/3B3M-H4B_ligand.pdbqt | data/3B/3B3M-H4B/3B3M-H4B_target.pdbqt | data/3B/3B3M-H4B/3B3M-H4B_decoys.pdbqt | data/3B/3B3M-H4B/3B3M-H4B_decoy_scores.csv |
3B88-ETE | data/3B/3B88-ETE/3B88-ETE_ligand.pdbqt | data/3B/3B88-ETE/3B88-ETE_target.pdbqt | data/3B/3B88-ETE/3B88-ETE_decoys.pdbqt | data/3B/3B88-ETE/3B88-ETE_decoy_scores.csv |
3BG8-G0R | data/3B/3BG8-G0R/3BG8-G0R_ligand.pdbqt | data/3B/3BG8-G0R/3BG8-G0R_target.pdbqt | data/3B/3BG8-G0R/3BG8-G0R_decoys.pdbqt | data/3B/3BG8-G0R/3BG8-G0R_decoy_scores.csv |
3B6W-GLU | data/3B/3B6W-GLU/3B6W-GLU_ligand.pdbqt | data/3B/3B6W-GLU/3B6W-GLU_target.pdbqt | data/3B/3B6W-GLU/3B6W-GLU_decoys.pdbqt | data/3B/3B6W-GLU/3B6W-GLU_decoy_scores.csv |
3BXR-DRR | data/3B/3BXR-DRR/3BXR-DRR_ligand.pdbqt | data/3B/3BXR-DRR/3BXR-DRR_target.pdbqt | data/3B/3BXR-DRR/3BXR-DRR_decoys.pdbqt | data/3B/3BXR-DRR/3BXR-DRR_decoy_scores.csv |
3B2X-LYS | data/3B/3B2X-LYS/3B2X-LYS_ligand.pdbqt | data/3B/3B2X-LYS/3B2X-LYS_target.pdbqt | data/3B/3B2X-LYS/3B2X-LYS_decoys.pdbqt | data/3B/3B2X-LYS/3B2X-LYS_decoy_scores.csv |
3BA9-NMN | data/3B/3BA9-NMN/3BA9-NMN_ligand.pdbqt | data/3B/3BA9-NMN/3BA9-NMN_target.pdbqt | data/3B/3BA9-NMN/3BA9-NMN_decoys.pdbqt | data/3B/3BA9-NMN/3BA9-NMN_decoy_scores.csv |
3BHM-AB3 | data/3B/3BHM-AB3/3BHM-AB3_ligand.pdbqt | data/3B/3BHM-AB3/3BHM-AB3_target.pdbqt | data/3B/3BHM-AB3/3BHM-AB3_decoys.pdbqt | data/3B/3BHM-AB3/3BHM-AB3_decoy_scores.csv |
3B3N-H4B | data/3B/3B3N-H4B/3B3N-H4B_ligand.pdbqt | data/3B/3B3N-H4B/3B3N-H4B_target.pdbqt | data/3B/3B3N-H4B/3B3N-H4B_decoys.pdbqt | data/3B/3B3N-H4B/3B3N-H4B_decoy_scores.csv |
3B1P-NOS | data/3B/3B1P-NOS/3B1P-NOS_ligand.pdbqt | data/3B/3B1P-NOS/3B1P-NOS_target.pdbqt | data/3B/3B1P-NOS/3B1P-NOS_decoys.pdbqt | data/3B/3B1P-NOS/3B1P-NOS_decoy_scores.csv |
3BWC-SAM | data/3B/3BWC-SAM/3BWC-SAM_ligand.pdbqt | data/3B/3BWC-SAM/3BWC-SAM_target.pdbqt | data/3B/3BWC-SAM/3BWC-SAM_decoys.pdbqt | data/3B/3BWC-SAM/3BWC-SAM_decoy_scores.csv |
3BL7-DD1 | data/3B/3BL7-DD1/3BL7-DD1_ligand.pdbqt | data/3B/3BL7-DD1/3BL7-DD1_target.pdbqt | data/3B/3BL7-DD1/3BL7-DD1_decoys.pdbqt | data/3B/3BL7-DD1/3BL7-DD1_decoy_scores.csv |
3BRQ-FRU | data/3B/3BRQ-FRU/3BRQ-FRU_ligand.pdbqt | data/3B/3BRQ-FRU/3BRQ-FRU_target.pdbqt | data/3B/3BRQ-FRU/3BRQ-FRU_decoys.pdbqt | data/3B/3BRQ-FRU/3BRQ-FRU_decoy_scores.csv |
3BMN-AX3 | data/3B/3BMN-AX3/3BMN-AX3_ligand.pdbqt | data/3B/3BMN-AX3/3BMN-AX3_target.pdbqt | data/3B/3BMN-AX3/3BMN-AX3_decoys.pdbqt | data/3B/3BMN-AX3/3BMN-AX3_decoy_scores.csv |
3BNY-FPF | data/3B/3BNY-FPF/3BNY-FPF_ligand.pdbqt | data/3B/3BNY-FPF/3BNY-FPF_target.pdbqt | data/3B/3BNY-FPF/3BNY-FPF_decoys.pdbqt | data/3B/3BNY-FPF/3BNY-FPF_decoy_scores.csv |
3B9H-NDU | data/3B/3B9H-NDU/3B9H-NDU_ligand.pdbqt | data/3B/3B9H-NDU/3B9H-NDU_target.pdbqt | data/3B/3B9H-NDU/3B9H-NDU_decoys.pdbqt | data/3B/3B9H-NDU/3B9H-NDU_decoy_scores.csv |
3B65-3B6 | data/3B/3B65-3B6/3B65-3B6_ligand.pdbqt | data/3B/3B65-3B6/3B65-3B6_target.pdbqt | data/3B/3B65-3B6/3B65-3B6_decoys.pdbqt | data/3B/3B65-3B6/3B65-3B6_decoy_scores.csv |
3BK0-CNU | data/3B/3BK0-CNU/3BK0-CNU_ligand.pdbqt | data/3B/3BK0-CNU/3BK0-CNU_target.pdbqt | data/3B/3BK0-CNU/3BK0-CNU_decoys.pdbqt | data/3B/3BK0-CNU/3BK0-CNU_decoy_scores.csv |
3BIU-10U | data/3B/3BIU-10U/3BIU-10U_ligand.pdbqt | data/3B/3BIU-10U/3BIU-10U_target.pdbqt | data/3B/3BIU-10U/3BIU-10U_decoys.pdbqt | data/3B/3BIU-10U/3BIU-10U_decoy_scores.csv |
3BNX-FPP | data/3B/3BNX-FPP/3BNX-FPP_ligand.pdbqt | data/3B/3BNX-FPP/3BNX-FPP_target.pdbqt | data/3B/3BNX-FPP/3BNX-FPP_decoys.pdbqt | data/3B/3BNX-FPP/3BNX-FPP_decoy_scores.csv |
3B1Y-GNH | data/3B/3B1Y-GNH/3B1Y-GNH_ligand.pdbqt | data/3B/3B1Y-GNH/3B1Y-GNH_target.pdbqt | data/3B/3B1Y-GNH/3B1Y-GNH_decoys.pdbqt | data/3B/3B1Y-GNH/3B1Y-GNH_decoy_scores.csv |
3BBR-BHY | data/3B/3BBR-BHY/3BBR-BHY_ligand.pdbqt | data/3B/3BBR-BHY/3BBR-BHY_target.pdbqt | data/3B/3BBR-BHY/3BBR-BHY_decoys.pdbqt | data/3B/3BBR-BHY/3BBR-BHY_decoy_scores.csv |
3BR0-MGR | data/3B/3BR0-MGR/3BR0-MGR_ligand.pdbqt | data/3B/3BR0-MGR/3BR0-MGR_target.pdbqt | data/3B/3BR0-MGR/3BR0-MGR_decoys.pdbqt | data/3B/3BR0-MGR/3BR0-MGR_decoy_scores.csv |
3BKQ-G1P | data/3B/3BKQ-G1P/3BKQ-G1P_ligand.pdbqt | data/3B/3BKQ-G1P/3BKQ-G1P_target.pdbqt | data/3B/3BKQ-G1P/3BKQ-G1P_decoys.pdbqt | data/3B/3BKQ-G1P/3BKQ-G1P_decoy_scores.csv |
3BRN-SRO | data/3B/3BRN-SRO/3BRN-SRO_ligand.pdbqt | data/3B/3BRN-SRO/3BRN-SRO_target.pdbqt | data/3B/3BRN-SRO/3BRN-SRO_decoys.pdbqt | data/3B/3BRN-SRO/3BRN-SRO_decoy_scores.csv |
3BLL-BPQ | data/3B/3BLL-BPQ/3BLL-BPQ_ligand.pdbqt | data/3B/3BLL-BPQ/3BLL-BPQ_target.pdbqt | data/3B/3BLL-BPQ/3BLL-BPQ_decoys.pdbqt | data/3B/3BLL-BPQ/3BLL-BPQ_decoy_scores.csv |
3B2S-MPO | data/3B/3B2S-MPO/3B2S-MPO_ligand.pdbqt | data/3B/3B2S-MPO/3B2S-MPO_target.pdbqt | data/3B/3B2S-MPO/3B2S-MPO_decoys.pdbqt | data/3B/3B2S-MPO/3B2S-MPO_decoy_scores.csv |
3OUT-DGL | data/3O/3OUT-DGL/3OUT-DGL_ligand.pdbqt | data/3O/3OUT-DGL/3OUT-DGL_target.pdbqt | data/3O/3OUT-DGL/3OUT-DGL_decoys.pdbqt | data/3O/3OUT-DGL/3OUT-DGL_decoy_scores.csv |
3OMP-W14 | data/3O/3OMP-W14/3OMP-W14_ligand.pdbqt | data/3O/3OMP-W14/3OMP-W14_target.pdbqt | data/3O/3OMP-W14/3OMP-W14_decoys.pdbqt | data/3O/3OMP-W14/3OMP-W14_decoy_scores.csv |
3OOZ-ZOO | data/3O/3OOZ-ZOO/3OOZ-ZOO_ligand.pdbqt | data/3O/3OOZ-ZOO/3OOZ-ZOO_target.pdbqt | data/3O/3OOZ-ZOO/3OOZ-ZOO_decoys.pdbqt | data/3O/3OOZ-ZOO/3OOZ-ZOO_decoy_scores.csv |
3OTI-TYD | data/3O/3OTI-TYD/3OTI-TYD_ligand.pdbqt | data/3O/3OTI-TYD/3OTI-TYD_target.pdbqt | data/3O/3OTI-TYD/3OTI-TYD_decoys.pdbqt | data/3O/3OTI-TYD/3OTI-TYD_decoy_scores.csv |
3O9L-LPN | data/3O/3O9L-LPN/3O9L-LPN_ligand.pdbqt | data/3O/3O9L-LPN/3O9L-LPN_target.pdbqt | data/3O/3O9L-LPN/3O9L-LPN_decoys.pdbqt | data/3O/3O9L-LPN/3O9L-LPN_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.