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 ⌀ |
|---|---|---|---|---|
5SB5-GDP | data/5S/5SB5-GDP/5SB5-GDP_ligand.pdbqt | data/5S/5SB5-GDP/5SB5-GDP_target.pdbqt | data/5S/5SB5-GDP/5SB5-GDP_decoys.pdbqt | data/5S/5SB5-GDP/5SB5-GDP_decoy_scores.csv |
5S32-W0V | data/5S/5S32-W0V/5S32-W0V_ligand.pdbqt | data/5S/5S32-W0V/5S32-W0V_target.pdbqt | data/5S/5S32-W0V/5S32-W0V_decoys.pdbqt | data/5S/5S32-W0V/5S32-W0V_decoy_scores.csv |
5SLT-LNS | data/5S/5SLT-LNS/5SLT-LNS_ligand.pdbqt | data/5S/5SLT-LNS/5SLT-LNS_target.pdbqt | data/5S/5SLT-LNS/5SLT-LNS_decoys.pdbqt | data/5S/5SLT-LNS/5SLT-LNS_decoy_scores.csv |
5SB4-GDP | data/5S/5SB4-GDP/5SB4-GDP_ligand.pdbqt | data/5S/5SB4-GDP/5SB4-GDP_target.pdbqt | data/5S/5SB4-GDP/5SB4-GDP_decoys.pdbqt | data/5S/5SB4-GDP/5SB4-GDP_decoy_scores.csv |
5SKN-KHU | data/5S/5SKN-KHU/5SKN-KHU_ligand.pdbqt | data/5S/5SKN-KHU/5SKN-KHU_target.pdbqt | data/5S/5SKN-KHU/5SKN-KHU_decoys.pdbqt | data/5S/5SKN-KHU/5SKN-KHU_decoy_scores.csv |
5S95-XZV | data/5S/5S95-XZV/5S95-XZV_ligand.pdbqt | data/5S/5S95-XZV/5S95-XZV_target.pdbqt | data/5S/5S95-XZV/5S95-XZV_decoys.pdbqt | data/5S/5S95-XZV/5S95-XZV_decoy_scores.csv |
5SB9-5IX | data/5S/5SB9-5IX/5SB9-5IX_ligand.pdbqt | data/5S/5SB9-5IX/5SB9-5IX_target.pdbqt | data/5S/5SB9-5IX/5SB9-5IX_decoys.pdbqt | data/5S/5SB9-5IX/5SB9-5IX_decoy_scores.csv |
5S54-GDP | data/5S/5S54-GDP/5S54-GDP_ligand.pdbqt | data/5S/5S54-GDP/5S54-GDP_target.pdbqt | data/5S/5S54-GDP/5S54-GDP_decoys.pdbqt | data/5S/5S54-GDP/5S54-GDP_decoy_scores.csv |
5S1K-WQ7 | data/5S/5S1K-WQ7/5S1K-WQ7_ligand.pdbqt | data/5S/5S1K-WQ7/5S1K-WQ7_target.pdbqt | data/5S/5S1K-WQ7/5S1K-WQ7_decoys.pdbqt | data/5S/5S1K-WQ7/5S1K-WQ7_decoy_scores.csv |
5SKH-KFO | data/5S/5SKH-KFO/5SKH-KFO_ligand.pdbqt | data/5S/5SKH-KFO/5SKH-KFO_target.pdbqt | data/5S/5SKH-KFO/5SKH-KFO_decoys.pdbqt | data/5S/5SKH-KFO/5SKH-KFO_decoy_scores.csv |
5SJG-K2L | data/5S/5SJG-K2L/5SJG-K2L_ligand.pdbqt | data/5S/5SJG-K2L/5SJG-K2L_target.pdbqt | data/5S/5SJG-K2L/5SJG-K2L_decoys.pdbqt | data/5S/5SJG-K2L/5SJG-K2L_decoy_scores.csv |
5SFY-IQV | data/5S/5SFY-IQV/5SFY-IQV_ligand.pdbqt | data/5S/5SFY-IQV/5SFY-IQV_target.pdbqt | data/5S/5SFY-IQV/5SFY-IQV_decoys.pdbqt | data/5S/5SFY-IQV/5SFY-IQV_decoy_scores.csv |
5S3T-W2G | data/5S/5S3T-W2G/5S3T-W2G_ligand.pdbqt | data/5S/5S3T-W2G/5S3T-W2G_target.pdbqt | data/5S/5S3T-W2G/5S3T-W2G_decoys.pdbqt | data/5S/5S3T-W2G/5S3T-W2G_decoy_scores.csv |
5S2T-W0D | data/5S/5S2T-W0D/5S2T-W0D_ligand.pdbqt | data/5S/5S2T-W0D/5S2T-W0D_target.pdbqt | data/5S/5S2T-W0D/5S2T-W0D_decoys.pdbqt | data/5S/5S2T-W0D/5S2T-W0D_decoy_scores.csv |
5SB8-ACP | data/5S/5SB8-ACP/5SB8-ACP_ligand.pdbqt | data/5S/5SB8-ACP/5SB8-ACP_target.pdbqt | data/5S/5SB8-ACP/5SB8-ACP_decoys.pdbqt | data/5S/5SB8-ACP/5SB8-ACP_decoy_scores.csv |
5S77-LU8 | data/5S/5S77-LU8/5S77-LU8_ligand.pdbqt | data/5S/5S77-LU8/5S77-LU8_target.pdbqt | data/5S/5S77-LU8/5S77-LU8_decoys.pdbqt | data/5S/5S77-LU8/5S77-LU8_decoy_scores.csv |
5SF0-IIX | data/5S/5SF0-IIX/5SF0-IIX_ligand.pdbqt | data/5S/5SF0-IIX/5SF0-IIX_target.pdbqt | data/5S/5SF0-IIX/5SF0-IIX_decoys.pdbqt | data/5S/5SF0-IIX/5SF0-IIX_decoy_scores.csv |
5SZ5-72E | data/5S/5SZ5-72E/5SZ5-72E_ligand.pdbqt | data/5S/5SZ5-72E/5SZ5-72E_target.pdbqt | data/5S/5SZ5-72E/5SZ5-72E_decoys.pdbqt | data/5S/5SZ5-72E/5SZ5-72E_decoy_scores.csv |
5S4J-W41 | data/5S/5S4J-W41/5S4J-W41_ligand.pdbqt | data/5S/5S4J-W41/5S4J-W41_target.pdbqt | data/5S/5S4J-W41/5S4J-W41_decoys.pdbqt | data/5S/5S4J-W41/5S4J-W41_decoy_scores.csv |
5SHR-JIP | data/5S/5SHR-JIP/5SHR-JIP_ligand.pdbqt | data/5S/5SHR-JIP/5SHR-JIP_target.pdbqt | data/5S/5SHR-JIP/5SHR-JIP_decoys.pdbqt | data/5S/5SHR-JIP/5SHR-JIP_decoy_scores.csv |
5SHN-JI8 | data/5S/5SHN-JI8/5SHN-JI8_ligand.pdbqt | data/5S/5SHN-JI8/5SHN-JI8_target.pdbqt | data/5S/5SHN-JI8/5SHN-JI8_decoys.pdbqt | data/5S/5SHN-JI8/5SHN-JI8_decoy_scores.csv |
5SB8-5IS | data/5S/5SB8-5IS/5SB8-5IS_ligand.pdbqt | data/5S/5SB8-5IS/5SB8-5IS_target.pdbqt | data/5S/5SB8-5IS/5SB8-5IS_decoys.pdbqt | data/5S/5SB8-5IS/5SB8-5IS_decoy_scores.csv |
5SC8-FBP | data/5S/5SC8-FBP/5SC8-FBP_ligand.pdbqt | data/5S/5SC8-FBP/5SC8-FBP_target.pdbqt | data/5S/5SC8-FBP/5SC8-FBP_decoys.pdbqt | data/5S/5SC8-FBP/5SC8-FBP_decoy_scores.csv |
5S7Y-LU8 | data/5S/5S7Y-LU8/5S7Y-LU8_ligand.pdbqt | data/5S/5S7Y-LU8/5S7Y-LU8_target.pdbqt | data/5S/5S7Y-LU8/5S7Y-LU8_decoys.pdbqt | data/5S/5S7Y-LU8/5S7Y-LU8_decoy_scores.csv |
5SLJ-LKU | data/5S/5SLJ-LKU/5SLJ-LKU_ligand.pdbqt | data/5S/5SLJ-LKU/5SLJ-LKU_target.pdbqt | data/5S/5SLJ-LKU/5SLJ-LKU_decoys.pdbqt | data/5S/5SLJ-LKU/5SLJ-LKU_decoy_scores.csv |
5STL-W9E | data/5S/5STL-W9E/5STL-W9E_ligand.pdbqt | data/5S/5STL-W9E/5STL-W9E_target.pdbqt | data/5S/5STL-W9E/5STL-W9E_decoys.pdbqt | data/5S/5STL-W9E/5STL-W9E_decoy_scores.csv |
5SC3-8CZ | data/5S/5SC3-8CZ/5SC3-8CZ_ligand.pdbqt | data/5S/5SC3-8CZ/5SC3-8CZ_target.pdbqt | data/5S/5SC3-8CZ/5SC3-8CZ_decoys.pdbqt | data/5S/5SC3-8CZ/5SC3-8CZ_decoy_scores.csv |
5SI9-JN6 | data/5S/5SI9-JN6/5SI9-JN6_ligand.pdbqt | data/5S/5SI9-JN6/5SI9-JN6_target.pdbqt | data/5S/5SI9-JN6/5SI9-JN6_decoys.pdbqt | data/5S/5SI9-JN6/5SI9-JN6_decoy_scores.csv |
5S4T-K1G | data/5S/5S4T-K1G/5S4T-K1G_ligand.pdbqt | data/5S/5S4T-K1G/5S4T-K1G_target.pdbqt | data/5S/5S4T-K1G/5S4T-K1G_decoys.pdbqt | data/5S/5S4T-K1G/5S4T-K1G_decoy_scores.csv |
5S5S-GDP | data/5S/5S5S-GDP/5S5S-GDP_ligand.pdbqt | data/5S/5S5S-GDP/5S5S-GDP_target.pdbqt | data/5S/5S5S-GDP/5S5S-GDP_decoys.pdbqt | data/5S/5S5S-GDP/5S5S-GDP_decoy_scores.csv |
5SDW-IAL | data/5S/5SDW-IAL/5SDW-IAL_ligand.pdbqt | data/5S/5SDW-IAL/5SDW-IAL_target.pdbqt | data/5S/5SDW-IAL/5SDW-IAL_decoys.pdbqt | data/5S/5SDW-IAL/5SDW-IAL_decoy_scores.csv |
5S9W-N08 | data/5S/5S9W-N08/5S9W-N08_ligand.pdbqt | data/5S/5S9W-N08/5S9W-N08_target.pdbqt | data/5S/5S9W-N08/5S9W-N08_decoys.pdbqt | data/5S/5S9W-N08/5S9W-N08_decoy_scores.csv |
5S67-X1M | data/5S/5S67-X1M/5S67-X1M_ligand.pdbqt | data/5S/5S67-X1M/5S67-X1M_target.pdbqt | data/5S/5S67-X1M/5S67-X1M_decoys.pdbqt | data/5S/5S67-X1M/5S67-X1M_decoy_scores.csv |
5SCT-H03 | data/5S/5SCT-H03/5SCT-H03_ligand.pdbqt | data/5S/5SCT-H03/5SCT-H03_target.pdbqt | data/5S/5SCT-H03/5SCT-H03_decoys.pdbqt | data/5S/5SCT-H03/5SCT-H03_decoy_scores.csv |
5SGW-IZ6 | data/5S/5SGW-IZ6/5SGW-IZ6_ligand.pdbqt | data/5S/5SGW-IZ6/5SGW-IZ6_target.pdbqt | data/5S/5SGW-IZ6/5SGW-IZ6_decoys.pdbqt | data/5S/5SGW-IZ6/5SGW-IZ6_decoy_scores.csv |
5S57-GDP | data/5S/5S57-GDP/5S57-GDP_ligand.pdbqt | data/5S/5S57-GDP/5S57-GDP_target.pdbqt | data/5S/5S57-GDP/5S57-GDP_decoys.pdbqt | data/5S/5S57-GDP/5S57-GDP_decoy_scores.csv |
5SG0-IV4 | data/5S/5SG0-IV4/5SG0-IV4_ligand.pdbqt | data/5S/5SG0-IV4/5SG0-IV4_target.pdbqt | data/5S/5SG0-IV4/5SG0-IV4_decoys.pdbqt | data/5S/5SG0-IV4/5SG0-IV4_decoy_scores.csv |
5SLU-UX1 | data/5S/5SLU-UX1/5SLU-UX1_ligand.pdbqt | data/5S/5SLU-UX1/5SLU-UX1_target.pdbqt | data/5S/5SLU-UX1/5SLU-UX1_decoys.pdbqt | data/5S/5SLU-UX1/5SLU-UX1_decoy_scores.csv |
5SFI-IKU | data/5S/5SFI-IKU/5SFI-IKU_ligand.pdbqt | data/5S/5SFI-IKU/5SFI-IKU_target.pdbqt | data/5S/5SFI-IKU/5SFI-IKU_decoys.pdbqt | data/5S/5SFI-IKU/5SFI-IKU_decoy_scores.csv |
5SG1-IV8 | data/5S/5SG1-IV8/5SG1-IV8_ligand.pdbqt | data/5S/5SG1-IV8/5SG1-IV8_target.pdbqt | data/5S/5SG1-IV8/5SG1-IV8_decoys.pdbqt | data/5S/5SG1-IV8/5SG1-IV8_decoy_scores.csv |
5SBB-GTP | data/5S/5SBB-GTP/5SBB-GTP_ligand.pdbqt | data/5S/5SBB-GTP/5SBB-GTP_target.pdbqt | data/5S/5SBB-GTP/5SBB-GTP_decoys.pdbqt | data/5S/5SBB-GTP/5SBB-GTP_decoy_scores.csv |
5S66-GTP | data/5S/5S66-GTP/5S66-GTP_ligand.pdbqt | data/5S/5S66-GTP/5S66-GTP_target.pdbqt | data/5S/5S66-GTP/5S66-GTP_decoys.pdbqt | data/5S/5S66-GTP/5S66-GTP_decoy_scores.csv |
5SCI-I9F | data/5S/5SCI-I9F/5SCI-I9F_ligand.pdbqt | data/5S/5SCI-I9F/5SCI-I9F_target.pdbqt | data/5S/5SCI-I9F/5SCI-I9F_decoys.pdbqt | data/5S/5SCI-I9F/5SCI-I9F_decoy_scores.csv |
5S7O-LU8 | data/5S/5S7O-LU8/5S7O-LU8_ligand.pdbqt | data/5S/5S7O-LU8/5S7O-LU8_target.pdbqt | data/5S/5S7O-LU8/5S7O-LU8_decoys.pdbqt | data/5S/5S7O-LU8/5S7O-LU8_decoy_scores.csv |
5S2H-VWV | data/5S/5S2H-VWV/5S2H-VWV_ligand.pdbqt | data/5S/5S2H-VWV/5S2H-VWV_target.pdbqt | data/5S/5S2H-VWV/5S2H-VWV_decoys.pdbqt | data/5S/5S2H-VWV/5S2H-VWV_decoy_scores.csv |
5SKP-KI8 | data/5S/5SKP-KI8/5SKP-KI8_ligand.pdbqt | data/5S/5SKP-KI8/5SKP-KI8_target.pdbqt | data/5S/5SKP-KI8/5SKP-KI8_decoys.pdbqt | data/5S/5SKP-KI8/5SKP-KI8_decoy_scores.csv |
5SKK-KGO | data/5S/5SKK-KGO/5SKK-KGO_ligand.pdbqt | data/5S/5SKK-KGO/5SKK-KGO_target.pdbqt | data/5S/5SKK-KGO/5SKK-KGO_decoys.pdbqt | data/5S/5SKK-KGO/5SKK-KGO_decoy_scores.csv |
5SWH-71D | data/5S/5SWH-71D/5SWH-71D_ligand.pdbqt | data/5S/5SWH-71D/5SWH-71D_target.pdbqt | data/5S/5SWH-71D/5SWH-71D_decoys.pdbqt | data/5S/5SWH-71D/5SWH-71D_decoy_scores.csv |
5SDT-I9Q | data/5S/5SDT-I9Q/5SDT-I9Q_ligand.pdbqt | data/5S/5SDT-I9Q/5SDT-I9Q_target.pdbqt | data/5S/5SDT-I9Q/5SDT-I9Q_decoys.pdbqt | data/5S/5SDT-I9Q/5SDT-I9Q_decoy_scores.csv |
5SD1-I6J | data/5S/5SD1-I6J/5SD1-I6J_ligand.pdbqt | data/5S/5SD1-I6J/5SD1-I6J_target.pdbqt | data/5S/5SD1-I6J/5SD1-I6J_decoys.pdbqt | data/5S/5SD1-I6J/5SD1-I6J_decoy_scores.csv |
5SCF-I91 | data/5S/5SCF-I91/5SCF-I91_ligand.pdbqt | data/5S/5SCF-I91/5SCF-I91_target.pdbqt | data/5S/5SCF-I91/5SCF-I91_decoys.pdbqt | data/5S/5SCF-I91/5SCF-I91_decoy_scores.csv |
5S2A-WS4 | data/5S/5S2A-WS4/5S2A-WS4_ligand.pdbqt | data/5S/5S2A-WS4/5S2A-WS4_target.pdbqt | data/5S/5S2A-WS4/5S2A-WS4_decoys.pdbqt | data/5S/5S2A-WS4/5S2A-WS4_decoy_scores.csv |
5SB6-GDP | data/5S/5SB6-GDP/5SB6-GDP_ligand.pdbqt | data/5S/5SB6-GDP/5SB6-GDP_target.pdbqt | data/5S/5SB6-GDP/5SB6-GDP_decoys.pdbqt | data/5S/5SB6-GDP/5SB6-GDP_decoy_scores.csv |
5SGZ-IZQ | data/5S/5SGZ-IZQ/5SGZ-IZQ_ligand.pdbqt | data/5S/5SGZ-IZQ/5SGZ-IZQ_target.pdbqt | data/5S/5SGZ-IZQ/5SGZ-IZQ_decoys.pdbqt | data/5S/5SGZ-IZQ/5SGZ-IZQ_decoy_scores.csv |
5SFC-IK6 | data/5S/5SFC-IK6/5SFC-IK6_ligand.pdbqt | data/5S/5SFC-IK6/5SFC-IK6_target.pdbqt | data/5S/5SFC-IK6/5SFC-IK6_decoys.pdbqt | data/5S/5SFC-IK6/5SFC-IK6_decoy_scores.csv |
5SBC-GDP | data/5S/5SBC-GDP/5SBC-GDP_ligand.pdbqt | data/5S/5SBC-GDP/5SBC-GDP_target.pdbqt | data/5S/5SBC-GDP/5SBC-GDP_decoys.pdbqt | data/5S/5SBC-GDP/5SBC-GDP_decoy_scores.csv |
5SL9-O0S | data/5S/5SL9-O0S/5SL9-O0S_ligand.pdbqt | data/5S/5SL9-O0S/5SL9-O0S_target.pdbqt | data/5S/5SL9-O0S/5SL9-O0S_decoys.pdbqt | data/5S/5SL9-O0S/5SL9-O0S_decoy_scores.csv |
5SD3-H9I | data/5S/5SD3-H9I/5SD3-H9I_ligand.pdbqt | data/5S/5SD3-H9I/5SD3-H9I_target.pdbqt | data/5S/5SD3-H9I/5SD3-H9I_decoys.pdbqt | data/5S/5SD3-H9I/5SD3-H9I_decoy_scores.csv |
5S5S-ACP | data/5S/5S5S-ACP/5S5S-ACP_ligand.pdbqt | data/5S/5S5S-ACP/5S5S-ACP_target.pdbqt | data/5S/5S5S-ACP/5S5S-ACP_decoys.pdbqt | data/5S/5S5S-ACP/5S5S-ACP_decoy_scores.csv |
5SUC-V73 | data/5S/5SUC-V73/5SUC-V73_ligand.pdbqt | data/5S/5SUC-V73/5SUC-V73_target.pdbqt | data/5S/5SUC-V73/5SUC-V73_decoys.pdbqt | data/5S/5SUC-V73/5SUC-V73_decoy_scores.csv |
5SUF-W3U | data/5S/5SUF-W3U/5SUF-W3U_ligand.pdbqt | data/5S/5SUF-W3U/5SUF-W3U_target.pdbqt | data/5S/5SUF-W3U/5SUF-W3U_decoys.pdbqt | data/5S/5SUF-W3U/5SUF-W3U_decoy_scores.csv |
5S4S-GDP | data/5S/5S4S-GDP/5S4S-GDP_ligand.pdbqt | data/5S/5S4S-GDP/5S4S-GDP_target.pdbqt | data/5S/5S4S-GDP/5S4S-GDP_decoys.pdbqt | data/5S/5S4S-GDP/5S4S-GDP_decoy_scores.csv |
5S4M-GTP | data/5S/5S4M-GTP/5S4M-GTP_ligand.pdbqt | data/5S/5S4M-GTP/5S4M-GTP_target.pdbqt | data/5S/5S4M-GTP/5S4M-GTP_decoys.pdbqt | data/5S/5S4M-GTP/5S4M-GTP_decoy_scores.csv |
5S5O-WGY | data/5S/5S5O-WGY/5S5O-WGY_ligand.pdbqt | data/5S/5S5O-WGY/5S5O-WGY_target.pdbqt | data/5S/5S5O-WGY/5S5O-WGY_decoys.pdbqt | data/5S/5S5O-WGY/5S5O-WGY_decoy_scores.csv |
5SJZ-KA6 | data/5S/5SJZ-KA6/5SJZ-KA6_ligand.pdbqt | data/5S/5SJZ-KA6/5SJZ-KA6_target.pdbqt | data/5S/5SJZ-KA6/5SJZ-KA6_decoys.pdbqt | data/5S/5SJZ-KA6/5SJZ-KA6_decoy_scores.csv |
5SB5-ACP | data/5S/5SB5-ACP/5SB5-ACP_ligand.pdbqt | data/5S/5SB5-ACP/5SB5-ACP_target.pdbqt | data/5S/5SB5-ACP/5SB5-ACP_decoys.pdbqt | data/5S/5SB5-ACP/5SB5-ACP_decoy_scores.csv |
5SU1-VOQ | data/5S/5SU1-VOQ/5SU1-VOQ_ligand.pdbqt | data/5S/5SU1-VOQ/5SU1-VOQ_target.pdbqt | data/5S/5SU1-VOQ/5SU1-VOQ_decoys.pdbqt | data/5S/5SU1-VOQ/5SU1-VOQ_decoy_scores.csv |
5SBQ-K0G | data/5S/5SBQ-K0G/5SBQ-K0G_ligand.pdbqt | data/5S/5SBQ-K0G/5SBQ-K0G_target.pdbqt | data/5S/5SBQ-K0G/5SBQ-K0G_decoys.pdbqt | data/5S/5SBQ-K0G/5SBQ-K0G_decoy_scores.csv |
5SEA-IF5 | data/5S/5SEA-IF5/5SEA-IF5_ligand.pdbqt | data/5S/5SEA-IF5/5SEA-IF5_target.pdbqt | data/5S/5SEA-IF5/5SEA-IF5_decoys.pdbqt | data/5S/5SEA-IF5/5SEA-IF5_decoy_scores.csv |
5SIP-JRL | data/5S/5SIP-JRL/5SIP-JRL_ligand.pdbqt | data/5S/5SIP-JRL/5SIP-JRL_target.pdbqt | data/5S/5SIP-JRL/5SIP-JRL_decoys.pdbqt | data/5S/5SIP-JRL/5SIP-JRL_decoy_scores.csv |
5S3S-W27 | data/5S/5S3S-W27/5S3S-W27_ligand.pdbqt | data/5S/5S3S-W27/5S3S-W27_target.pdbqt | data/5S/5S3S-W27/5S3S-W27_decoys.pdbqt | data/5S/5S3S-W27/5S3S-W27_decoy_scores.csv |
5SG9-IWC | data/5S/5SG9-IWC/5SG9-IWC_ligand.pdbqt | data/5S/5SG9-IWC/5SG9-IWC_target.pdbqt | data/5S/5SG9-IWC/5SG9-IWC_decoys.pdbqt | data/5S/5SG9-IWC/5SG9-IWC_decoy_scores.csv |
5STV-V86 | data/5S/5STV-V86/5STV-V86_ligand.pdbqt | data/5S/5STV-V86/5STV-V86_target.pdbqt | data/5S/5STV-V86/5STV-V86_decoys.pdbqt | data/5S/5STV-V86/5STV-V86_decoy_scores.csv |
5S60-X1G | data/5S/5S60-X1G/5S60-X1G_ligand.pdbqt | data/5S/5S60-X1G/5S60-X1G_target.pdbqt | data/5S/5S60-X1G/5S60-X1G_decoys.pdbqt | data/5S/5S60-X1G/5S60-X1G_decoy_scores.csv |
5SJJ-K3O | data/5S/5SJJ-K3O/5SJJ-K3O_ligand.pdbqt | data/5S/5SJJ-K3O/5SJJ-K3O_target.pdbqt | data/5S/5SJJ-K3O/5SJJ-K3O_decoys.pdbqt | data/5S/5SJJ-K3O/5SJJ-K3O_decoy_scores.csv |
5SH2-J0O | data/5S/5SH2-J0O/5SH2-J0O_ligand.pdbqt | data/5S/5SH2-J0O/5SH2-J0O_target.pdbqt | data/5S/5SH2-J0O/5SH2-J0O_decoys.pdbqt | data/5S/5SH2-J0O/5SH2-J0O_decoy_scores.csv |
5S4L-GTP | data/5S/5S4L-GTP/5S4L-GTP_ligand.pdbqt | data/5S/5S4L-GTP/5S4L-GTP_target.pdbqt | data/5S/5S4L-GTP/5S4L-GTP_decoys.pdbqt | data/5S/5S4L-GTP/5S4L-GTP_decoy_scores.csv |
5SBW-O0M | data/5S/5SBW-O0M/5SBW-O0M_ligand.pdbqt | data/5S/5SBW-O0M/5SBW-O0M_target.pdbqt | data/5S/5SBW-O0M/5SBW-O0M_decoys.pdbqt | data/5S/5SBW-O0M/5SBW-O0M_decoy_scores.csv |
5S7N-LU8 | data/5S/5S7N-LU8/5S7N-LU8_ligand.pdbqt | data/5S/5S7N-LU8/5S7N-LU8_target.pdbqt | data/5S/5S7N-LU8/5S7N-LU8_decoys.pdbqt | data/5S/5S7N-LU8/5S7N-LU8_decoy_scores.csv |
5SFF-IKH | data/5S/5SFF-IKH/5SFF-IKH_ligand.pdbqt | data/5S/5SFF-IKH/5SFF-IKH_target.pdbqt | data/5S/5SFF-IKH/5SFF-IKH_decoys.pdbqt | data/5S/5SFF-IKH/5SFF-IKH_decoy_scores.csv |
5S4O-O0J | data/5S/5S4O-O0J/5S4O-O0J_ligand.pdbqt | data/5S/5S4O-O0J/5S4O-O0J_target.pdbqt | data/5S/5S4O-O0J/5S4O-O0J_decoys.pdbqt | data/5S/5S4O-O0J/5S4O-O0J_decoy_scores.csv |
5S81-LU8 | data/5S/5S81-LU8/5S81-LU8_ligand.pdbqt | data/5S/5S81-LU8/5S81-LU8_target.pdbqt | data/5S/5S81-LU8/5S81-LU8_decoys.pdbqt | data/5S/5S81-LU8/5S81-LU8_decoy_scores.csv |
5S67-GTP | data/5S/5S67-GTP/5S67-GTP_ligand.pdbqt | data/5S/5S67-GTP/5S67-GTP_target.pdbqt | data/5S/5S67-GTP/5S67-GTP_decoys.pdbqt | data/5S/5S67-GTP/5S67-GTP_decoy_scores.csv |
5SIG-JP0 | data/5S/5SIG-JP0/5SIG-JP0_ligand.pdbqt | data/5S/5SIG-JP0/5SIG-JP0_target.pdbqt | data/5S/5SIG-JP0/5SIG-JP0_decoys.pdbqt | data/5S/5SIG-JP0/5SIG-JP0_decoy_scores.csv |
5S2X-W0J | data/5S/5S2X-W0J/5S2X-W0J_ligand.pdbqt | data/5S/5S2X-W0J/5S2X-W0J_target.pdbqt | data/5S/5S2X-W0J/5S2X-W0J_decoys.pdbqt | data/5S/5S2X-W0J/5S2X-W0J_decoy_scores.csv |
5S5A-GTP | data/5S/5S5A-GTP/5S5A-GTP_ligand.pdbqt | data/5S/5S5A-GTP/5S5A-GTP_target.pdbqt | data/5S/5S5A-GTP/5S5A-GTP_decoys.pdbqt | data/5S/5S5A-GTP/5S5A-GTP_decoy_scores.csv |
5SHK-JH6 | data/5S/5SHK-JH6/5SHK-JH6_ligand.pdbqt | data/5S/5SHK-JH6/5SHK-JH6_target.pdbqt | data/5S/5SHK-JH6/5SHK-JH6_decoys.pdbqt | data/5S/5SHK-JH6/5SHK-JH6_decoy_scores.csv |
5SD4-HVR | data/5S/5SD4-HVR/5SD4-HVR_ligand.pdbqt | data/5S/5SD4-HVR/5SD4-HVR_target.pdbqt | data/5S/5SD4-HVR/5SD4-HVR_decoys.pdbqt | data/5S/5SD4-HVR/5SD4-HVR_decoy_scores.csv |
5SC8-E6K | data/5S/5SC8-E6K/5SC8-E6K_ligand.pdbqt | data/5S/5SC8-E6K/5SC8-E6K_target.pdbqt | data/5S/5SC8-E6K/5SC8-E6K_decoys.pdbqt | data/5S/5SC8-E6K/5SC8-E6K_decoy_scores.csv |
5S60-GTP | data/5S/5S60-GTP/5S60-GTP_ligand.pdbqt | data/5S/5S60-GTP/5S60-GTP_target.pdbqt | data/5S/5S60-GTP/5S60-GTP_decoys.pdbqt | data/5S/5S60-GTP/5S60-GTP_decoy_scores.csv |
5SJP-K6O | data/5S/5SJP-K6O/5SJP-K6O_ligand.pdbqt | data/5S/5SJP-K6O/5SJP-K6O_target.pdbqt | data/5S/5SJP-K6O/5SJP-K6O_decoys.pdbqt | data/5S/5SJP-K6O/5SJP-K6O_decoy_scores.csv |
5SEF-IFR | data/5S/5SEF-IFR/5SEF-IFR_ligand.pdbqt | data/5S/5SEF-IFR/5SEF-IFR_target.pdbqt | data/5S/5SEF-IFR/5SEF-IFR_decoys.pdbqt | data/5S/5SEF-IFR/5SEF-IFR_decoy_scores.csv |
5SDT-FBP | data/5S/5SDT-FBP/5SDT-FBP_ligand.pdbqt | data/5S/5SDT-FBP/5SDT-FBP_target.pdbqt | data/5S/5SDT-FBP/5SDT-FBP_decoys.pdbqt | data/5S/5SDT-FBP/5SDT-FBP_decoy_scores.csv |
5SG6-IVT | data/5S/5SG6-IVT/5SG6-IVT_ligand.pdbqt | data/5S/5SG6-IVT/5SG6-IVT_target.pdbqt | data/5S/5SG6-IVT/5SG6-IVT_decoys.pdbqt | data/5S/5SG6-IVT/5SG6-IVT_decoy_scores.csv |
5S8W-Y1D | data/5S/5S8W-Y1D/5S8W-Y1D_ligand.pdbqt | data/5S/5S8W-Y1D/5S8W-Y1D_target.pdbqt | data/5S/5S8W-Y1D/5S8W-Y1D_decoys.pdbqt | data/5S/5S8W-Y1D/5S8W-Y1D_decoy_scores.csv |
5S34-GOV | data/5S/5S34-GOV/5S34-GOV_ligand.pdbqt | data/5S/5S34-GOV/5S34-GOV_target.pdbqt | data/5S/5S34-GOV/5S34-GOV_decoys.pdbqt | data/5S/5S34-GOV/5S34-GOV_decoy_scores.csv |
5SIL-JQC | data/5S/5SIL-JQC/5SIL-JQC_ligand.pdbqt | data/5S/5SIL-JQC/5SIL-JQC_target.pdbqt | data/5S/5SIL-JQC/5SIL-JQC_decoys.pdbqt | data/5S/5SIL-JQC/5SIL-JQC_decoy_scores.csv |
5S5Q-GTP | data/5S/5S5Q-GTP/5S5Q-GTP_ligand.pdbqt | data/5S/5S5Q-GTP/5S5Q-GTP_target.pdbqt | data/5S/5S5Q-GTP/5S5Q-GTP_decoys.pdbqt | data/5S/5S5Q-GTP/5S5Q-GTP_decoy_scores.csv |
5S78-LU8 | data/5S/5S78-LU8/5S78-LU8_ligand.pdbqt | data/5S/5S78-LU8/5S78-LU8_target.pdbqt | data/5S/5S78-LU8/5S78-LU8_decoys.pdbqt | data/5S/5S78-LU8/5S78-LU8_decoy_scores.csv |
5SU9-V4L | data/5S/5SU9-V4L/5SU9-V4L_ligand.pdbqt | data/5S/5SU9-V4L/5SU9-V4L_target.pdbqt | data/5S/5SU9-V4L/5SU9-V4L_decoys.pdbqt | data/5S/5SU9-V4L/5SU9-V4L_decoy_scores.csv |
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