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 ⌀ |
|---|---|---|---|---|
3SG8-TOY | data/3S/3SG8-TOY/3SG8-TOY_ligand.pdbqt | data/3S/3SG8-TOY/3SG8-TOY_target.pdbqt | data/3S/3SG8-TOY/3SG8-TOY_decoys.pdbqt | data/3S/3SG8-TOY/3SG8-TOY_decoy_scores.csv |
3SLS-77D | data/3S/3SLS-77D/3SLS-77D_ligand.pdbqt | data/3S/3SLS-77D/3SLS-77D_target.pdbqt | data/3S/3SLS-77D/3SLS-77D_decoys.pdbqt | data/3S/3SLS-77D/3SLS-77D_decoy_scores.csv |
3SNI-546 | data/3S/3SNI-546/3SNI-546_ligand.pdbqt | data/3S/3SNI-546/3SNI-546_target.pdbqt | data/3S/3SNI-546/3SNI-546_decoys.pdbqt | data/3S/3SNI-546/3SNI-546_decoy_scores.csv |
3SFG-2TU | data/3S/3SFG-2TU/3SFG-2TU_ligand.pdbqt | data/3S/3SFG-2TU/3SFG-2TU_target.pdbqt | data/3S/3SFG-2TU/3SFG-2TU_decoys.pdbqt | data/3S/3SFG-2TU/3SFG-2TU_decoy_scores.csv |
3S7B-SAM | data/3S/3S7B-SAM/3S7B-SAM_ligand.pdbqt | data/3S/3S7B-SAM/3S7B-SAM_target.pdbqt | data/3S/3S7B-SAM/3S7B-SAM_decoys.pdbqt | data/3S/3S7B-SAM/3S7B-SAM_decoy_scores.csv |
3S2M-P5D | data/3S/3S2M-P5D/3S2M-P5D_ligand.pdbqt | data/3S/3S2M-P5D/3S2M-P5D_target.pdbqt | data/3S/3S2M-P5D/3S2M-P5D_decoys.pdbqt | data/3S/3S2M-P5D/3S2M-P5D_decoy_scores.csv |
3S44-FN5 | data/3S/3S44-FN5/3S44-FN5_ligand.pdbqt | data/3S/3S44-FN5/3S44-FN5_target.pdbqt | data/3S/3S44-FN5/3S44-FN5_decoys.pdbqt | data/3S/3S44-FN5/3S44-FN5_decoy_scores.csv |
3SAX-BCN | data/3S/3SAX-BCN/3SAX-BCN_ligand.pdbqt | data/3S/3SAX-BCN/3SAX-BCN_target.pdbqt | data/3S/3SAX-BCN/3SAX-BCN_decoys.pdbqt | data/3S/3SAX-BCN/3SAX-BCN_decoy_scores.csv |
3SJ1-DXC | data/3S/3SJ1-DXC/3SJ1-DXC_ligand.pdbqt | data/3S/3SJ1-DXC/3SJ1-DXC_target.pdbqt | data/3S/3SJ1-DXC/3SJ1-DXC_decoys.pdbqt | data/3S/3SJ1-DXC/3SJ1-DXC_decoy_scores.csv |
3S0E-EOL | data/3S/3S0E-EOL/3S0E-EOL_ligand.pdbqt | data/3S/3S0E-EOL/3S0E-EOL_target.pdbqt | data/3S/3S0E-EOL/3S0E-EOL_decoys.pdbqt | data/3S/3S0E-EOL/3S0E-EOL_decoy_scores.csv |
3SFI-3SF | data/3S/3SFI-3SF/3SFI-3SF_ligand.pdbqt | data/3S/3SFI-3SF/3SFI-3SF_target.pdbqt | data/3S/3SFI-3SF/3SFI-3SF_decoys.pdbqt | data/3S/3SFI-3SF/3SFI-3SF_decoy_scores.csv |
3S21-CER | data/3S/3S21-CER/3S21-CER_ligand.pdbqt | data/3S/3S21-CER/3S21-CER_target.pdbqt | data/3S/3S21-CER/3S21-CER_decoys.pdbqt | data/3S/3S21-CER/3S21-CER_decoy_scores.csv |
3SSJ-FNU | data/3S/3SSJ-FNU/3SSJ-FNU_ligand.pdbqt | data/3S/3SSJ-FNU/3SSJ-FNU_target.pdbqt | data/3S/3SSJ-FNU/3SSJ-FNU_decoys.pdbqt | data/3S/3SSJ-FNU/3SSJ-FNU_decoy_scores.csv |
3SSM-SAH | data/3S/3SSM-SAH/3SSM-SAH_ligand.pdbqt | data/3S/3SSM-SAH/3SSM-SAH_target.pdbqt | data/3S/3SSM-SAH/3SSM-SAH_decoys.pdbqt | data/3S/3SSM-SAH/3SSM-SAH_decoy_scores.csv |
3SMR-NP7 | data/3S/3SMR-NP7/3SMR-NP7_ligand.pdbqt | data/3S/3SMR-NP7/3SMR-NP7_target.pdbqt | data/3S/3SMR-NP7/3SMR-NP7_decoys.pdbqt | data/3S/3SMR-NP7/3SMR-NP7_decoy_scores.csv |
3SIW-GDP | data/3S/3SIW-GDP/3SIW-GDP_ligand.pdbqt | data/3S/3SIW-GDP/3SIW-GDP_target.pdbqt | data/3S/3SIW-GDP/3SIW-GDP_decoys.pdbqt | data/3S/3SIW-GDP/3SIW-GDP_decoy_scores.csv |
3SW2-FI1 | data/3S/3SW2-FI1/3SW2-FI1_ligand.pdbqt | data/3S/3SW2-FI1/3SW2-FI1_target.pdbqt | data/3S/3SW2-FI1/3SW2-FI1_decoys.pdbqt | data/3S/3SW2-FI1/3SW2-FI1_decoy_scores.csv |
3S7M-532 | data/3S/3S7M-532/3S7M-532_ligand.pdbqt | data/3S/3S7M-532/3S7M-532_target.pdbqt | data/3S/3S7M-532/3S7M-532_decoys.pdbqt | data/3S/3S7M-532/3S7M-532_decoy_scores.csv |
3SVP-JK5 | data/3S/3SVP-JK5/3SVP-JK5_ligand.pdbqt | data/3S/3SVP-JK5/3SVP-JK5_target.pdbqt | data/3S/3SVP-JK5/3SVP-JK5_decoys.pdbqt | data/3S/3SVP-JK5/3SVP-JK5_decoy_scores.csv |
3SYI-LMT | data/3S/3SYI-LMT/3SYI-LMT_ligand.pdbqt | data/3S/3SYI-LMT/3SYI-LMT_target.pdbqt | data/3S/3SYI-LMT/3SYI-LMT_decoys.pdbqt | data/3S/3SYI-LMT/3SYI-LMT_decoy_scores.csv |
3SBX-AMP | data/3S/3SBX-AMP/3SBX-AMP_ligand.pdbqt | data/3S/3SBX-AMP/3SBX-AMP_target.pdbqt | data/3S/3SBX-AMP/3SBX-AMP_decoys.pdbqt | data/3S/3SBX-AMP/3SBX-AMP_decoy_scores.csv |
3SL6-JN8 | data/3S/3SL6-JN8/3SL6-JN8_ligand.pdbqt | data/3S/3SL6-JN8/3SL6-JN8_target.pdbqt | data/3S/3SL6-JN8/3SL6-JN8_decoys.pdbqt | data/3S/3SL6-JN8/3SL6-JN8_decoy_scores.csv |
3SMK-CW7 | data/3S/3SMK-CW7/3SMK-CW7_ligand.pdbqt | data/3S/3SMK-CW7/3SMK-CW7_target.pdbqt | data/3S/3SMK-CW7/3SMK-CW7_decoys.pdbqt | data/3S/3SMK-CW7/3SMK-CW7_decoy_scores.csv |
3S3V-TOP | data/3S/3S3V-TOP/3S3V-TOP_ligand.pdbqt | data/3S/3S3V-TOP/3S3V-TOP_target.pdbqt | data/3S/3S3V-TOP/3S3V-TOP_decoys.pdbqt | data/3S/3S3V-TOP/3S3V-TOP_decoy_scores.csv |
3SZD-C8E | data/3S/3SZD-C8E/3SZD-C8E_ligand.pdbqt | data/3S/3SZD-C8E/3SZD-C8E_target.pdbqt | data/3S/3SZD-C8E/3SZD-C8E_decoys.pdbqt | data/3S/3SZD-C8E/3SZD-C8E_decoy_scores.csv |
3SML-FW1 | data/3S/3SML-FW1/3SML-FW1_ligand.pdbqt | data/3S/3SML-FW1/3SML-FW1_target.pdbqt | data/3S/3SML-FW1/3SML-FW1_decoys.pdbqt | data/3S/3SML-FW1/3SML-FW1_decoy_scores.csv |
3SP5-CX7 | data/3S/3SP5-CX7/3SP5-CX7_ligand.pdbqt | data/3S/3SP5-CX7/3SP5-CX7_target.pdbqt | data/3S/3SP5-CX7/3SP5-CX7_decoys.pdbqt | data/3S/3SP5-CX7/3SP5-CX7_decoy_scores.csv |
3SBD-GNP | data/3S/3SBD-GNP/3SBD-GNP_ligand.pdbqt | data/3S/3SBD-GNP/3SBD-GNP_target.pdbqt | data/3S/3SBD-GNP/3SBD-GNP_decoys.pdbqt | data/3S/3SBD-GNP/3SBD-GNP_decoy_scores.csv |
3S95-STU | data/3S/3S95-STU/3S95-STU_ligand.pdbqt | data/3S/3S95-STU/3S95-STU_target.pdbqt | data/3S/3S95-STU/3S95-STU_decoys.pdbqt | data/3S/3S95-STU/3S95-STU_decoy_scores.csv |
3SK4-THP | data/3S/3SK4-THP/3SK4-THP_ligand.pdbqt | data/3S/3SK4-THP/3SK4-THP_target.pdbqt | data/3S/3SK4-THP/3SK4-THP_decoys.pdbqt | data/3S/3SK4-THP/3SK4-THP_decoy_scores.csv |
3S2Y-FMN | data/3S/3S2Y-FMN/3S2Y-FMN_ligand.pdbqt | data/3S/3S2Y-FMN/3S2Y-FMN_target.pdbqt | data/3S/3S2Y-FMN/3S2Y-FMN_decoys.pdbqt | data/3S/3S2Y-FMN/3S2Y-FMN_decoy_scores.csv |
3SX5-GAL | data/3S/3SX5-GAL/3SX5-GAL_ligand.pdbqt | data/3S/3SX5-GAL/3SX5-GAL_target.pdbqt | data/3S/3SX5-GAL/3SX5-GAL_decoys.pdbqt | data/3S/3SX5-GAL/3SX5-GAL_decoy_scores.csv |
3SUU-OGN | data/3S/3SUU-OGN/3SUU-OGN_ligand.pdbqt | data/3S/3SUU-OGN/3SUU-OGN_target.pdbqt | data/3S/3SUU-OGN/3SUU-OGN_decoys.pdbqt | data/3S/3SUU-OGN/3SUU-OGN_decoy_scores.csv |
3S1S-SAH | data/3S/3S1S-SAH/3S1S-SAH_ligand.pdbqt | data/3S/3S1S-SAH/3S1S-SAH_target.pdbqt | data/3S/3S1S-SAH/3S1S-SAH_decoys.pdbqt | data/3S/3S1S-SAH/3S1S-SAH_decoy_scores.csv |
3SRE-LMT | data/3S/3SRE-LMT/3SRE-LMT_ligand.pdbqt | data/3S/3SRE-LMT/3SRE-LMT_target.pdbqt | data/3S/3SRE-LMT/3SRE-LMT_decoys.pdbqt | data/3S/3SRE-LMT/3SRE-LMT_decoy_scores.csv |
3SLI-SKD | data/3S/3SLI-SKD/3SLI-SKD_ligand.pdbqt | data/3S/3SLI-SKD/3SLI-SKD_target.pdbqt | data/3S/3SLI-SKD/3SLI-SKD_decoys.pdbqt | data/3S/3SLI-SKD/3SLI-SKD_decoy_scores.csv |
3ST8-UD1 | data/3S/3ST8-UD1/3ST8-UD1_ligand.pdbqt | data/3S/3ST8-UD1/3ST8-UD1_target.pdbqt | data/3S/3ST8-UD1/3ST8-UD1_decoys.pdbqt | data/3S/3ST8-UD1/3ST8-UD1_decoy_scores.csv |
3SUC-ATP | data/3S/3SUC-ATP/3SUC-ATP_ligand.pdbqt | data/3S/3SUC-ATP/3SUC-ATP_target.pdbqt | data/3S/3SUC-ATP/3SUC-ATP_decoys.pdbqt | data/3S/3SUC-ATP/3SUC-ATP_decoy_scores.csv |
3SX2-NAD | data/3S/3SX2-NAD/3SX2-NAD_ligand.pdbqt | data/3S/3SX2-NAD/3SX2-NAD_target.pdbqt | data/3S/3SX2-NAD/3SX2-NAD_decoys.pdbqt | data/3S/3SX2-NAD/3SX2-NAD_decoy_scores.csv |
3SBH-BCN | data/3S/3SBH-BCN/3SBH-BCN_ligand.pdbqt | data/3S/3SBH-BCN/3SBH-BCN_target.pdbqt | data/3S/3SBH-BCN/3SBH-BCN_decoys.pdbqt | data/3S/3SBH-BCN/3SBH-BCN_decoy_scores.csv |
3SPT-UD1 | data/3S/3SPT-UD1/3SPT-UD1_ligand.pdbqt | data/3S/3SPT-UD1/3SPT-UD1_target.pdbqt | data/3S/3SPT-UD1/3SPT-UD1_decoys.pdbqt | data/3S/3SPT-UD1/3SPT-UD1_decoy_scores.csv |
3SJQ-PHU | data/3S/3SJQ-PHU/3SJQ-PHU_ligand.pdbqt | data/3S/3SJQ-PHU/3SJQ-PHU_target.pdbqt | data/3S/3SJQ-PHU/3SJQ-PHU_decoys.pdbqt | data/3S/3SJQ-PHU/3SJQ-PHU_decoy_scores.csv |
3SCO-GLF | data/3S/3SCO-GLF/3SCO-GLF_ligand.pdbqt | data/3S/3SCO-GLF/3SCO-GLF_target.pdbqt | data/3S/3SCO-GLF/3SCO-GLF_decoys.pdbqt | data/3S/3SCO-GLF/3SCO-GLF_decoy_scores.csv |
3S8P-SAM | data/3S/3S8P-SAM/3S8P-SAM_ligand.pdbqt | data/3S/3S8P-SAM/3S8P-SAM_target.pdbqt | data/3S/3S8P-SAM/3S8P-SAM_decoys.pdbqt | data/3S/3S8P-SAM/3S8P-SAM_decoy_scores.csv |
3SCE-PG6 | data/3S/3SCE-PG6/3SCE-PG6_ligand.pdbqt | data/3S/3SCE-PG6/3SCE-PG6_target.pdbqt | data/3S/3SCE-PG6/3SCE-PG6_decoys.pdbqt | data/3S/3SCE-PG6/3SCE-PG6_decoy_scores.csv |
3SHR-CMP | data/3S/3SHR-CMP/3SHR-CMP_ligand.pdbqt | data/3S/3SHR-CMP/3SHR-CMP_target.pdbqt | data/3S/3SHR-CMP/3SHR-CMP_decoys.pdbqt | data/3S/3SHR-CMP/3SHR-CMP_decoy_scores.csv |
3SMB-LE2 | data/3S/3SMB-LE2/3SMB-LE2_ligand.pdbqt | data/3S/3SMB-LE2/3SMB-LE2_target.pdbqt | data/3S/3SMB-LE2/3SMB-LE2_decoys.pdbqt | data/3S/3SMB-LE2/3SMB-LE2_decoy_scores.csv |
3S9I-XI7 | data/3S/3S9I-XI7/3S9I-XI7_ligand.pdbqt | data/3S/3S9I-XI7/3S9I-XI7_target.pdbqt | data/3S/3S9I-XI7/3S9I-XI7_decoys.pdbqt | data/3S/3S9I-XI7/3S9I-XI7_decoy_scores.csv |
3SRG-OCH | data/3S/3SRG-OCH/3SRG-OCH_ligand.pdbqt | data/3S/3SRG-OCH/3SRG-OCH_target.pdbqt | data/3S/3SRG-OCH/3SRG-OCH_decoys.pdbqt | data/3S/3SRG-OCH/3SRG-OCH_decoy_scores.csv |
3SAE-FPS | data/3S/3SAE-FPS/3SAE-FPS_ligand.pdbqt | data/3S/3SAE-FPS/3SAE-FPS_target.pdbqt | data/3S/3SAE-FPS/3SAE-FPS_decoys.pdbqt | data/3S/3SAE-FPS/3SAE-FPS_decoy_scores.csv |
3SL2-ATP | data/3S/3SL2-ATP/3SL2-ATP_ligand.pdbqt | data/3S/3SL2-ATP/3SL2-ATP_target.pdbqt | data/3S/3SL2-ATP/3SL2-ATP_decoys.pdbqt | data/3S/3SL2-ATP/3SL2-ATP_decoy_scores.csv |
3SX6-DCQ | data/3S/3SX6-DCQ/3SX6-DCQ_ligand.pdbqt | data/3S/3SX6-DCQ/3SX6-DCQ_target.pdbqt | data/3S/3SX6-DCQ/3SX6-DCQ_decoys.pdbqt | data/3S/3SX6-DCQ/3SX6-DCQ_decoy_scores.csv |
3SNM-IAC | data/3S/3SNM-IAC/3SNM-IAC_ligand.pdbqt | data/3S/3SNM-IAC/3SNM-IAC_target.pdbqt | data/3S/3SNM-IAC/3SNM-IAC_decoys.pdbqt | data/3S/3SNM-IAC/3SNM-IAC_decoy_scores.csv |
3SXC-GAL | data/3S/3SXC-GAL/3SXC-GAL_ligand.pdbqt | data/3S/3SXC-GAL/3SXC-GAL_target.pdbqt | data/3S/3SXC-GAL/3SXC-GAL_decoys.pdbqt | data/3S/3SXC-GAL/3SXC-GAL_decoy_scores.csv |
3S7L-591 | data/3S/3S7L-591/3S7L-591_ligand.pdbqt | data/3S/3S7L-591/3S7L-591_target.pdbqt | data/3S/3S7L-591/3S7L-591_decoys.pdbqt | data/3S/3S7L-591/3S7L-591_decoy_scores.csv |
3S7D-SAH | data/3S/3S7D-SAH/3S7D-SAH_ligand.pdbqt | data/3S/3S7D-SAH/3S7D-SAH_target.pdbqt | data/3S/3S7D-SAH/3S7D-SAH_decoys.pdbqt | data/3S/3S7D-SAH/3S7D-SAH_decoy_scores.csv |
3SM0-AEK | data/3S/3SM0-AEK/3SM0-AEK_ligand.pdbqt | data/3S/3SM0-AEK/3SM0-AEK_target.pdbqt | data/3S/3SM0-AEK/3SM0-AEK_decoys.pdbqt | data/3S/3SM0-AEK/3SM0-AEK_decoy_scores.csv |
3SRG-LMT | data/3S/3SRG-LMT/3SRG-LMT_ligand.pdbqt | data/3S/3SRG-LMT/3SRG-LMT_target.pdbqt | data/3S/3SRG-LMT/3SRG-LMT_decoys.pdbqt | data/3S/3SRG-LMT/3SRG-LMT_decoy_scores.csv |
3SCZ-HPA | data/3S/3SCZ-HPA/3SCZ-HPA_ligand.pdbqt | data/3S/3SCZ-HPA/3SCZ-HPA_target.pdbqt | data/3S/3SCZ-HPA/3SCZ-HPA_decoys.pdbqt | data/3S/3SCZ-HPA/3SCZ-HPA_decoy_scores.csv |
3SRB-28S | data/3S/3SRB-28S/3SRB-28S_ligand.pdbqt | data/3S/3SRB-28S/3SRB-28S_target.pdbqt | data/3S/3SRB-28S/3SRB-28S_decoys.pdbqt | data/3S/3SRB-28S/3SRB-28S_decoy_scores.csv |
3SY6-NHE | data/3S/3SY6-NHE/3SY6-NHE_ligand.pdbqt | data/3S/3SY6-NHE/3SY6-NHE_target.pdbqt | data/3S/3SY6-NHE/3SY6-NHE_decoys.pdbqt | data/3S/3SY6-NHE/3SY6-NHE_decoy_scores.csv |
3SFY-FII | data/3S/3SFY-FII/3SFY-FII_ligand.pdbqt | data/3S/3SFY-FII/3SFY-FII_target.pdbqt | data/3S/3SFY-FII/3SFY-FII_decoys.pdbqt | data/3S/3SFY-FII/3SFY-FII_decoy_scores.csv |
3SFY-3FX | data/3S/3SFY-3FX/3SFY-3FX_ligand.pdbqt | data/3S/3SFY-3FX/3SFY-3FX_target.pdbqt | data/3S/3SFY-3FX/3SFY-3FX_decoys.pdbqt | data/3S/3SFY-3FX/3SFY-3FX_decoy_scores.csv |
3SY5-UP6 | data/3S/3SY5-UP6/3SY5-UP6_ligand.pdbqt | data/3S/3SY5-UP6/3SY5-UP6_target.pdbqt | data/3S/3SY5-UP6/3SY5-UP6_decoys.pdbqt | data/3S/3SY5-UP6/3SY5-UP6_decoy_scores.csv |
3SHC-B01 | data/3S/3SHC-B01/3SHC-B01_ligand.pdbqt | data/3S/3SHC-B01/3SHC-B01_target.pdbqt | data/3S/3SHC-B01/3SHC-B01_decoys.pdbqt | data/3S/3SHC-B01/3SHC-B01_decoy_scores.csv |
3SU9-EPZ | data/3S/3SU9-EPZ/3SU9-EPZ_ligand.pdbqt | data/3S/3SU9-EPZ/3SU9-EPZ_target.pdbqt | data/3S/3SU9-EPZ/3SU9-EPZ_decoys.pdbqt | data/3S/3SU9-EPZ/3SU9-EPZ_decoy_scores.csv |
3SA6-F71 | data/3S/3SA6-F71/3SA6-F71_ligand.pdbqt | data/3S/3SA6-F71/3SA6-F71_target.pdbqt | data/3S/3SA6-F71/3SA6-F71_decoys.pdbqt | data/3S/3SA6-F71/3SA6-F71_decoy_scores.csv |
3SN8-S89 | data/3S/3SN8-S89/3SN8-S89_ligand.pdbqt | data/3S/3SN8-S89/3SN8-S89_target.pdbqt | data/3S/3SN8-S89/3SN8-S89_decoys.pdbqt | data/3S/3SN8-S89/3SN8-S89_decoy_scores.csv |
3ST5-G89 | data/3S/3ST5-G89/3ST5-G89_ligand.pdbqt | data/3S/3ST5-G89/3ST5-G89_target.pdbqt | data/3S/3ST5-G89/3ST5-G89_decoys.pdbqt | data/3S/3ST5-G89/3ST5-G89_decoy_scores.csv |
3S56-ROC | data/3S/3S56-ROC/3S56-ROC_ligand.pdbqt | data/3S/3S56-ROC/3S56-ROC_target.pdbqt | data/3S/3S56-ROC/3S56-ROC_decoys.pdbqt | data/3S/3S56-ROC/3S56-ROC_decoy_scores.csv |
3SP6-IL2 | data/3S/3SP6-IL2/3SP6-IL2_ligand.pdbqt | data/3S/3SP6-IL2/3SP6-IL2_target.pdbqt | data/3S/3SP6-IL2/3SP6-IL2_decoys.pdbqt | data/3S/3SP6-IL2/3SP6-IL2_decoy_scores.csv |
3SAI-9DR | data/3S/3SAI-9DR/3SAI-9DR_ligand.pdbqt | data/3S/3SAI-9DR/3SAI-9DR_target.pdbqt | data/3S/3SAI-9DR/3SAI-9DR_decoys.pdbqt | data/3S/3SAI-9DR/3SAI-9DR_decoy_scores.csv |
3SY7-C8E | data/3S/3SY7-C8E/3SY7-C8E_ligand.pdbqt | data/3S/3SY7-C8E/3SY7-C8E_target.pdbqt | data/3S/3SY7-C8E/3SY7-C8E_decoys.pdbqt | data/3S/3SY7-C8E/3SY7-C8E_decoy_scores.csv |
3SVJ-4LI | data/3S/3SVJ-4LI/3SVJ-4LI_ligand.pdbqt | data/3S/3SVJ-4LI/3SVJ-4LI_target.pdbqt | data/3S/3SVJ-4LI/3SVJ-4LI_decoys.pdbqt | data/3S/3SVJ-4LI/3SVJ-4LI_decoy_scores.csv |
3SJO-AG7 | data/3S/3SJO-AG7/3SJO-AG7_ligand.pdbqt | data/3S/3SJO-AG7/3SJO-AG7_target.pdbqt | data/3S/3SJO-AG7/3SJO-AG7_decoys.pdbqt | data/3S/3SJO-AG7/3SJO-AG7_decoy_scores.csv |
3SAO-DBH | data/3S/3SAO-DBH/3SAO-DBH_ligand.pdbqt | data/3S/3SAO-DBH/3SAO-DBH_target.pdbqt | data/3S/3SAO-DBH/3SAO-DBH_decoys.pdbqt | data/3S/3SAO-DBH/3SAO-DBH_decoy_scores.csv |
3SQG-TP7 | data/3S/3SQG-TP7/3SQG-TP7_ligand.pdbqt | data/3S/3SQG-TP7/3SQG-TP7_target.pdbqt | data/3S/3SQG-TP7/3SQG-TP7_decoys.pdbqt | data/3S/3SQG-TP7/3SQG-TP7_decoy_scores.csv |
3SK5-THP | data/3S/3SK5-THP/3SK5-THP_ligand.pdbqt | data/3S/3SK5-THP/3SK5-THP_target.pdbqt | data/3S/3SK5-THP/3SK5-THP_decoys.pdbqt | data/3S/3SK5-THP/3SK5-THP_decoy_scores.csv |
3S68-TCW | data/3S/3S68-TCW/3S68-TCW_ligand.pdbqt | data/3S/3S68-TCW/3S68-TCW_target.pdbqt | data/3S/3S68-TCW/3S68-TCW_decoys.pdbqt | data/3S/3S68-TCW/3S68-TCW_decoy_scores.csv |
3SAD-040 | data/3S/3SAD-040/3SAD-040_ligand.pdbqt | data/3S/3SAD-040/3SAD-040_target.pdbqt | data/3S/3SAD-040/3SAD-040_decoys.pdbqt | data/3S/3SAD-040/3SAD-040_decoy_scores.csv |
3SZL-H6P | data/3S/3SZL-H6P/3SZL-H6P_ligand.pdbqt | data/3S/3SZL-H6P/3SZL-H6P_target.pdbqt | data/3S/3SZL-H6P/3SZL-H6P_decoys.pdbqt | data/3S/3SZL-H6P/3SZL-H6P_decoy_scores.csv |
3SRW-Q27 | data/3S/3SRW-Q27/3SRW-Q27_ligand.pdbqt | data/3S/3SRW-Q27/3SRW-Q27_target.pdbqt | data/3S/3SRW-Q27/3SRW-Q27_decoys.pdbqt | data/3S/3SRW-Q27/3SRW-Q27_decoy_scores.csv |
3SXE-GAL | data/3S/3SXE-GAL/3SXE-GAL_ligand.pdbqt | data/3S/3SXE-GAL/3SXE-GAL_target.pdbqt | data/3S/3SXE-GAL/3SXE-GAL_decoys.pdbqt | data/3S/3SXE-GAL/3SXE-GAL_decoy_scores.csv |
3SEA-GDP | data/3S/3SEA-GDP/3SEA-GDP_ligand.pdbqt | data/3S/3SEA-GDP/3SEA-GDP_target.pdbqt | data/3S/3SEA-GDP/3SEA-GDP_decoys.pdbqt | data/3S/3SEA-GDP/3SEA-GDP_decoy_scores.csv |
3SMM-FJA | data/3S/3SMM-FJA/3SMM-FJA_ligand.pdbqt | data/3S/3SMM-FJA/3SMM-FJA_target.pdbqt | data/3S/3SMM-FJA/3SMM-FJA_decoys.pdbqt | data/3S/3SMM-FJA/3SMM-FJA_decoy_scores.csv |
3SF0-AMP | data/3S/3SF0-AMP/3SF0-AMP_ligand.pdbqt | data/3S/3SF0-AMP/3SF0-AMP_target.pdbqt | data/3S/3SF0-AMP/3SF0-AMP_decoys.pdbqt | data/3S/3SF0-AMP/3SF0-AMP_decoy_scores.csv |
3SRQ-Q19 | data/3S/3SRQ-Q19/3SRQ-Q19_ligand.pdbqt | data/3S/3SRQ-Q19/3SRQ-Q19_target.pdbqt | data/3S/3SRQ-Q19/3SRQ-Q19_decoys.pdbqt | data/3S/3SRQ-Q19/3SRQ-Q19_decoy_scores.csv |
3SEF-SKM | data/3S/3SEF-SKM/3SEF-SKM_ligand.pdbqt | data/3S/3SEF-SKM/3SEF-SKM_target.pdbqt | data/3S/3SEF-SKM/3SEF-SKM_decoys.pdbqt | data/3S/3SEF-SKM/3SEF-SKM_decoy_scores.csv |
3SOM-FLC | data/3S/3SOM-FLC/3SOM-FLC_ligand.pdbqt | data/3S/3SOM-FLC/3SOM-FLC_target.pdbqt | data/3S/3SOM-FLC/3SOM-FLC_decoys.pdbqt | data/3S/3SOM-FLC/3SOM-FLC_decoy_scores.csv |
3SWQ-EPU | data/3S/3SWQ-EPU/3SWQ-EPU_ligand.pdbqt | data/3S/3SWQ-EPU/3SWQ-EPU_target.pdbqt | data/3S/3SWQ-EPU/3SWQ-EPU_decoys.pdbqt | data/3S/3SWQ-EPU/3SWQ-EPU_decoy_scores.csv |
3S00-Z60 | data/3S/3S00-Z60/3S00-Z60_ligand.pdbqt | data/3S/3S00-Z60/3S00-Z60_target.pdbqt | data/3S/3S00-Z60/3S00-Z60_decoys.pdbqt | data/3S/3S00-Z60/3S00-Z60_decoy_scores.csv |
3SDU-GST | data/3S/3SDU-GST/3SDU-GST_ligand.pdbqt | data/3S/3SDU-GST/3SDU-GST_target.pdbqt | data/3S/3SDU-GST/3SDU-GST_decoys.pdbqt | data/3S/3SDU-GST/3SDU-GST_decoy_scores.csv |
3STM-PLM | data/3S/3STM-PLM/3STM-PLM_ligand.pdbqt | data/3S/3STM-PLM/3STM-PLM_target.pdbqt | data/3S/3STM-PLM/3STM-PLM_decoys.pdbqt | data/3S/3STM-PLM/3STM-PLM_decoy_scores.csv |
3SZF-DCQ | data/3S/3SZF-DCQ/3SZF-DCQ_ligand.pdbqt | data/3S/3SZF-DCQ/3SZF-DCQ_target.pdbqt | data/3S/3SZF-DCQ/3SZF-DCQ_decoys.pdbqt | data/3S/3SZF-DCQ/3SZF-DCQ_decoy_scores.csv |
3S9E-GLU | data/3S/3S9E-GLU/3S9E-GLU_ligand.pdbqt | data/3S/3S9E-GLU/3S9E-GLU_target.pdbqt | data/3S/3S9E-GLU/3S9E-GLU_decoys.pdbqt | data/3S/3S9E-GLU/3S9E-GLU_decoy_scores.csv |
3SGZ-HO6 | data/3S/3SGZ-HO6/3SGZ-HO6_ligand.pdbqt | data/3S/3SGZ-HO6/3SGZ-HO6_target.pdbqt | data/3S/3SGZ-HO6/3SGZ-HO6_decoys.pdbqt | data/3S/3SGZ-HO6/3SGZ-HO6_decoy_scores.csv |
3SDR-210 | data/3S/3SDR-210/3SDR-210_ligand.pdbqt | data/3S/3SDR-210/3SDR-210_target.pdbqt | data/3S/3SDR-210/3SDR-210_decoys.pdbqt | data/3S/3SDR-210/3SDR-210_decoy_scores.csv |
3SRS-M23 | data/3S/3SRS-M23/3SRS-M23_ligand.pdbqt | data/3S/3SRS-M23/3SRS-M23_target.pdbqt | data/3S/3SRS-M23/3SRS-M23_decoys.pdbqt | data/3S/3SRS-M23/3SRS-M23_decoy_scores.csv |
3SMI-QDR | data/3S/3SMI-QDR/3SMI-QDR_ligand.pdbqt | data/3S/3SMI-QDR/3SMI-QDR_target.pdbqt | data/3S/3SMI-QDR/3SMI-QDR_decoys.pdbqt | data/3S/3SMI-QDR/3SMI-QDR_decoy_scores.csv |
3S86-IMP | data/3S/3S86-IMP/3S86-IMP_ligand.pdbqt | data/3S/3S86-IMP/3S86-IMP_target.pdbqt | data/3S/3S86-IMP/3S86-IMP_decoys.pdbqt | data/3S/3S86-IMP/3S86-IMP_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.