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 ⌀ |
|---|---|---|---|---|
2AW1-COX | data/2A/2AW1-COX/2AW1-COX_ligand.pdbqt | data/2A/2AW1-COX/2AW1-COX_target.pdbqt | data/2A/2AW1-COX/2AW1-COX_decoys.pdbqt | data/2A/2AW1-COX/2AW1-COX_decoy_scores.csv |
2A5X-NSB | data/2A/2A5X-NSB/2A5X-NSB_ligand.pdbqt | data/2A/2A5X-NSB/2A5X-NSB_target.pdbqt | data/2A/2A5X-NSB/2A5X-NSB_decoys.pdbqt | data/2A/2A5X-NSB/2A5X-NSB_decoy_scores.csv |
2ABI-1CA | data/2A/2ABI-1CA/2ABI-1CA_ligand.pdbqt | data/2A/2ABI-1CA/2ABI-1CA_target.pdbqt | data/2A/2ABI-1CA/2ABI-1CA_decoys.pdbqt | data/2A/2ABI-1CA/2ABI-1CA_decoy_scores.csv |
2AXN-EDT | data/2A/2AXN-EDT/2AXN-EDT_ligand.pdbqt | data/2A/2AXN-EDT/2AXN-EDT_target.pdbqt | data/2A/2AXN-EDT/2AXN-EDT_decoys.pdbqt | data/2A/2AXN-EDT/2AXN-EDT_decoy_scores.csv |
2A75-FSI | data/2A/2A75-FSI/2A75-FSI_ligand.pdbqt | data/2A/2A75-FSI/2A75-FSI_target.pdbqt | data/2A/2A75-FSI/2A75-FSI_decoys.pdbqt | data/2A/2A75-FSI/2A75-FSI_decoy_scores.csv |
2AUX-CT1 | data/2A/2AUX-CT1/2AUX-CT1_ligand.pdbqt | data/2A/2AUX-CT1/2AUX-CT1_target.pdbqt | data/2A/2AUX-CT1/2AUX-CT1_decoys.pdbqt | data/2A/2AUX-CT1/2AUX-CT1_decoy_scores.csv |
2A0C-CK9 | data/2A/2A0C-CK9/2A0C-CK9_ligand.pdbqt | data/2A/2A0C-CK9/2A0C-CK9_target.pdbqt | data/2A/2A0C-CK9/2A0C-CK9_decoys.pdbqt | data/2A/2A0C-CK9/2A0C-CK9_decoy_scores.csv |
2AUZ-CT2 | data/2A/2AUZ-CT2/2AUZ-CT2_ligand.pdbqt | data/2A/2AUZ-CT2/2AUZ-CT2_target.pdbqt | data/2A/2AUZ-CT2/2AUZ-CT2_decoys.pdbqt | data/2A/2AUZ-CT2/2AUZ-CT2_decoy_scores.csv |
2A5X-ANP | data/2A/2A5X-ANP/2A5X-ANP_ligand.pdbqt | data/2A/2A5X-ANP/2A5X-ANP_target.pdbqt | data/2A/2A5X-ANP/2A5X-ANP_decoys.pdbqt | data/2A/2A5X-ANP/2A5X-ANP_decoy_scores.csv |
2ALW-MNM | data/2A/2ALW-MNM/2ALW-MNM_ligand.pdbqt | data/2A/2ALW-MNM/2ALW-MNM_target.pdbqt | data/2A/2ALW-MNM/2ALW-MNM_decoys.pdbqt | data/2A/2ALW-MNM/2ALW-MNM_decoy_scores.csv |
2AN5-SAH | data/2A/2AN5-SAH/2AN5-SAH_ligand.pdbqt | data/2A/2AN5-SAH/2AN5-SAH_target.pdbqt | data/2A/2AN5-SAH/2AN5-SAH_decoys.pdbqt | data/2A/2AN5-SAH/2AN5-SAH_decoy_scores.csv |
2A5X-LAR | data/2A/2A5X-LAR/2A5X-LAR_ligand.pdbqt | data/2A/2A5X-LAR/2A5X-LAR_target.pdbqt | data/2A/2A5X-LAR/2A5X-LAR_decoys.pdbqt | data/2A/2A5X-LAR/2A5X-LAR_decoy_scores.csv |
2ABS-ACP | data/2A/2ABS-ACP/2ABS-ACP_ligand.pdbqt | data/2A/2ABS-ACP/2ABS-ACP_target.pdbqt | data/2A/2ABS-ACP/2ABS-ACP_decoys.pdbqt | data/2A/2ABS-ACP/2ABS-ACP_decoy_scores.csv |
2AO6-R18 | data/2A/2AO6-R18/2AO6-R18_ligand.pdbqt | data/2A/2AO6-R18/2AO6-R18_target.pdbqt | data/2A/2AO6-R18/2AO6-R18_decoys.pdbqt | data/2A/2AO6-R18/2AO6-R18_decoy_scores.csv |
2A06-JZR | data/2A/2A06-JZR/2A06-JZR_ligand.pdbqt | data/2A/2A06-JZR/2A06-JZR_target.pdbqt | data/2A/2A06-JZR/2A06-JZR_decoys.pdbqt | data/2A/2A06-JZR/2A06-JZR_decoy_scores.csv |
2AYW-ONO | data/2A/2AYW-ONO/2AYW-ONO_ligand.pdbqt | data/2A/2AYW-ONO/2AYW-ONO_target.pdbqt | data/2A/2AYW-ONO/2AYW-ONO_decoys.pdbqt | data/2A/2AYW-ONO/2AYW-ONO_decoy_scores.csv |
2A94-AP0 | data/2A/2A94-AP0/2A94-AP0_ligand.pdbqt | data/2A/2A94-AP0/2A94-AP0_target.pdbqt | data/2A/2A94-AP0/2A94-AP0_decoys.pdbqt | data/2A/2A94-AP0/2A94-AP0_decoy_scores.csv |
2AA2-AS4 | data/2A/2AA2-AS4/2AA2-AS4_ligand.pdbqt | data/2A/2AA2-AS4/2AA2-AS4_target.pdbqt | data/2A/2AA2-AS4/2AA2-AS4_decoys.pdbqt | data/2A/2AA2-AS4/2AA2-AS4_decoy_scores.csv |
2ART-LPA | data/2A/2ART-LPA/2ART-LPA_ligand.pdbqt | data/2A/2ART-LPA/2ART-LPA_target.pdbqt | data/2A/2ART-LPA/2ART-LPA_decoys.pdbqt | data/2A/2ART-LPA/2ART-LPA_decoy_scores.csv |
2A2Q-FUC | data/2A/2A2Q-FUC/2A2Q-FUC_ligand.pdbqt | data/2A/2A2Q-FUC/2A2Q-FUC_target.pdbqt | data/2A/2A2Q-FUC/2A2Q-FUC_decoys.pdbqt | data/2A/2A2Q-FUC/2A2Q-FUC_decoy_scores.csv |
2AMB-17H | data/2A/2AMB-17H/2AMB-17H_ligand.pdbqt | data/2A/2AMB-17H/2AMB-17H_target.pdbqt | data/2A/2AMB-17H/2AMB-17H_decoys.pdbqt | data/2A/2AMB-17H/2AMB-17H_decoy_scores.csv |
2A2I-A5P | data/2A/2A2I-A5P/2A2I-A5P_ligand.pdbqt | data/2A/2A2I-A5P/2A2I-A5P_target.pdbqt | data/2A/2A2I-A5P/2A2I-A5P_decoys.pdbqt | data/2A/2A2I-A5P/2A2I-A5P_decoy_scores.csv |
2AZ5-307 | data/2A/2AZ5-307/2AZ5-307_ligand.pdbqt | data/2A/2AZ5-307/2AZ5-307_target.pdbqt | data/2A/2AZ5-307/2AZ5-307_decoys.pdbqt | data/2A/2AZ5-307/2AZ5-307_decoy_scores.csv |
2A4F-AAU | data/2A/2A4F-AAU/2A4F-AAU_ligand.pdbqt | data/2A/2A4F-AAU/2A4F-AAU_target.pdbqt | data/2A/2A4F-AAU/2A4F-AAU_decoys.pdbqt | data/2A/2A4F-AAU/2A4F-AAU_decoy_scores.csv |
2AG2-OLA | data/2A/2AG2-OLA/2AG2-OLA_ligand.pdbqt | data/2A/2AG2-OLA/2AG2-OLA_target.pdbqt | data/2A/2AG2-OLA/2AG2-OLA_decoys.pdbqt | data/2A/2AG2-OLA/2AG2-OLA_decoy_scores.csv |
2ABE-HIS | data/2A/2ABE-HIS/2ABE-HIS_ligand.pdbqt | data/2A/2ABE-HIS/2ABE-HIS_target.pdbqt | data/2A/2ABE-HIS/2ABE-HIS_decoys.pdbqt | data/2A/2ABE-HIS/2ABE-HIS_decoy_scores.csv |
2AO2-TRP | data/2A/2AO2-TRP/2AO2-TRP_ligand.pdbqt | data/2A/2AO2-TRP/2AO2-TRP_target.pdbqt | data/2A/2AO2-TRP/2AO2-TRP_decoys.pdbqt | data/2A/2AO2-TRP/2AO2-TRP_decoy_scores.csv |
2ASC-DR8 | data/2A/2ASC-DR8/2ASC-DR8_ligand.pdbqt | data/2A/2ASC-DR8/2ASC-DR8_target.pdbqt | data/2A/2ASC-DR8/2ASC-DR8_decoys.pdbqt | data/2A/2ASC-DR8/2ASC-DR8_decoy_scores.csv |
2AY6-3IB | data/2A/2AY6-3IB/2AY6-3IB_ligand.pdbqt | data/2A/2AY6-3IB/2AY6-3IB_target.pdbqt | data/2A/2AY6-3IB/2AY6-3IB_decoys.pdbqt | data/2A/2AY6-3IB/2AY6-3IB_decoy_scores.csv |
2AGT-FID | data/2A/2AGT-FID/2AGT-FID_ligand.pdbqt | data/2A/2AGT-FID/2AGT-FID_target.pdbqt | data/2A/2AGT-FID/2AGT-FID_decoys.pdbqt | data/2A/2AGT-FID/2AGT-FID_decoy_scores.csv |
2AA6-STR | data/2A/2AA6-STR/2AA6-STR_ligand.pdbqt | data/2A/2AA6-STR/2AA6-STR_target.pdbqt | data/2A/2AA6-STR/2AA6-STR_decoys.pdbqt | data/2A/2AA6-STR/2AA6-STR_decoy_scores.csv |
2A9Z-26A | data/2A/2A9Z-26A/2A9Z-26A_ligand.pdbqt | data/2A/2A9Z-26A/2A9Z-26A_target.pdbqt | data/2A/2A9Z-26A/2A9Z-26A_decoys.pdbqt | data/2A/2A9Z-26A/2A9Z-26A_decoy_scores.csv |
2AX9-BHM | data/2A/2AX9-BHM/2AX9-BHM_ligand.pdbqt | data/2A/2AX9-BHM/2AX9-BHM_target.pdbqt | data/2A/2AX9-BHM/2AX9-BHM_decoys.pdbqt | data/2A/2AX9-BHM/2AX9-BHM_decoy_scores.csv |
2AFU-BGT | data/2A/2AFU-BGT/2AFU-BGT_ligand.pdbqt | data/2A/2AFU-BGT/2AFU-BGT_target.pdbqt | data/2A/2AFU-BGT/2AFU-BGT_decoys.pdbqt | data/2A/2AFU-BGT/2AFU-BGT_decoy_scores.csv |
2A9K-NAD | data/2A/2A9K-NAD/2A9K-NAD_ligand.pdbqt | data/2A/2A9K-NAD/2A9K-NAD_target.pdbqt | data/2A/2A9K-NAD/2A9K-NAD_decoys.pdbqt | data/2A/2A9K-NAD/2A9K-NAD_decoy_scores.csv |
2AL7-GDP | data/2A/2AL7-GDP/2AL7-GDP_ligand.pdbqt | data/2A/2AL7-GDP/2AL7-GDP_target.pdbqt | data/2A/2AL7-GDP/2AL7-GDP_decoys.pdbqt | data/2A/2AL7-GDP/2AL7-GDP_decoy_scores.csv |
2AAD-2GP | data/2A/2AAD-2GP/2AAD-2GP_ligand.pdbqt | data/2A/2AAD-2GP/2AAD-2GP_target.pdbqt | data/2A/2AAD-2GP/2AAD-2GP_decoys.pdbqt | data/2A/2AAD-2GP/2AAD-2GP_decoy_scores.csv |
2ALG-P6G | data/2A/2ALG-P6G/2ALG-P6G_ligand.pdbqt | data/2A/2ALG-P6G/2ALG-P6G_target.pdbqt | data/2A/2ALG-P6G/2ALG-P6G_decoys.pdbqt | data/2A/2ALG-P6G/2ALG-P6G_decoy_scores.csv |
2AY3-MPP | data/2A/2AY3-MPP/2AY3-MPP_ligand.pdbqt | data/2A/2AY3-MPP/2AY3-MPP_target.pdbqt | data/2A/2AY3-MPP/2AY3-MPP_decoys.pdbqt | data/2A/2AY3-MPP/2AY3-MPP_decoy_scores.csv |
2AE2-PTO | data/2A/2AE2-PTO/2AE2-PTO_ligand.pdbqt | data/2A/2AE2-PTO/2AE2-PTO_target.pdbqt | data/2A/2AE2-PTO/2AE2-PTO_decoys.pdbqt | data/2A/2AE2-PTO/2AE2-PTO_decoy_scores.csv |
2AHC-VNL | data/2A/2AHC-VNL/2AHC-VNL_ligand.pdbqt | data/2A/2AHC-VNL/2AHC-VNL_target.pdbqt | data/2A/2AHC-VNL/2AHC-VNL_decoys.pdbqt | data/2A/2AHC-VNL/2AHC-VNL_decoy_scores.csv |
2AOA-P33 | data/2A/2AOA-P33/2AOA-P33_ligand.pdbqt | data/2A/2AOA-P33/2AOA-P33_target.pdbqt | data/2A/2AOA-P33/2AOA-P33_decoys.pdbqt | data/2A/2AOA-P33/2AOA-P33_decoy_scores.csv |
2AH0-TSH | data/2A/2AH0-TSH/2AH0-TSH_ligand.pdbqt | data/2A/2AH0-TSH/2AH0-TSH_target.pdbqt | data/2A/2AH0-TSH/2AH0-TSH_decoys.pdbqt | data/2A/2AH0-TSH/2AH0-TSH_decoy_scores.csv |
2AL2-PEP | data/2A/2AL2-PEP/2AL2-PEP_ligand.pdbqt | data/2A/2AL2-PEP/2AL2-PEP_target.pdbqt | data/2A/2AL2-PEP/2AL2-PEP_decoys.pdbqt | data/2A/2AL2-PEP/2AL2-PEP_decoy_scores.csv |
2ANS-2AN | data/2A/2ANS-2AN/2ANS-2AN_ligand.pdbqt | data/2A/2ANS-2AN/2ANS-2AN_target.pdbqt | data/2A/2ANS-2AN/2ANS-2AN_decoys.pdbqt | data/2A/2ANS-2AN/2ANS-2AN_decoy_scores.csv |
2AMA-DHT | data/2A/2AMA-DHT/2AMA-DHT_ligand.pdbqt | data/2A/2AMA-DHT/2AMA-DHT_target.pdbqt | data/2A/2AMA-DHT/2AMA-DHT_decoys.pdbqt | data/2A/2AMA-DHT/2AMA-DHT_decoy_scores.csv |
2AFW-AHN | data/2A/2AFW-AHN/2AFW-AHN_ligand.pdbqt | data/2A/2AFW-AHN/2AFW-AHN_target.pdbqt | data/2A/2AFW-AHN/2AFW-AHN_decoys.pdbqt | data/2A/2AFW-AHN/2AFW-AHN_decoy_scores.csv |
2ANQ-C1A | data/2A/2ANQ-C1A/2ANQ-C1A_ligand.pdbqt | data/2A/2ANQ-C1A/2ANQ-C1A_target.pdbqt | data/2A/2ANQ-C1A/2ANQ-C1A_decoys.pdbqt | data/2A/2ANQ-C1A/2ANQ-C1A_decoy_scores.csv |
2AIQ-BEN | data/2A/2AIQ-BEN/2AIQ-BEN_ligand.pdbqt | data/2A/2AIQ-BEN/2AIQ-BEN_target.pdbqt | data/2A/2AIQ-BEN/2AIQ-BEN_decoys.pdbqt | data/2A/2AIQ-BEN/2AIQ-BEN_decoy_scores.csv |
2A85-FMN | data/2A/2A85-FMN/2A85-FMN_ligand.pdbqt | data/2A/2A85-FMN/2A85-FMN_target.pdbqt | data/2A/2A85-FMN/2A85-FMN_decoys.pdbqt | data/2A/2A85-FMN/2A85-FMN_decoy_scores.csv |
2AAC-FCB | data/2A/2AAC-FCB/2AAC-FCB_ligand.pdbqt | data/2A/2AAC-FCB/2AAC-FCB_target.pdbqt | data/2A/2AAC-FCB/2AAC-FCB_decoys.pdbqt | data/2A/2AAC-FCB/2AAC-FCB_decoy_scores.csv |
2ART-AMP | data/2A/2ART-AMP/2ART-AMP_ligand.pdbqt | data/2A/2ART-AMP/2ART-AMP_target.pdbqt | data/2A/2ART-AMP/2ART-AMP_decoys.pdbqt | data/2A/2ART-AMP/2ART-AMP_decoy_scores.csv |
2ANJ-KAI | data/2A/2ANJ-KAI/2ANJ-KAI_ligand.pdbqt | data/2A/2ANJ-KAI/2ANJ-KAI_target.pdbqt | data/2A/2ANJ-KAI/2ANJ-KAI_decoys.pdbqt | data/2A/2ANJ-KAI/2ANJ-KAI_decoy_scores.csv |
2ARM-OIN | data/2A/2ARM-OIN/2ARM-OIN_ligand.pdbqt | data/2A/2ARM-OIN/2ARM-OIN_target.pdbqt | data/2A/2ARM-OIN/2ARM-OIN_decoys.pdbqt | data/2A/2ARM-OIN/2ARM-OIN_decoy_scores.csv |
2AM5-UDP | data/2A/2AM5-UDP/2AM5-UDP_ligand.pdbqt | data/2A/2AM5-UDP/2AM5-UDP_target.pdbqt | data/2A/2AM5-UDP/2AM5-UDP_decoys.pdbqt | data/2A/2AM5-UDP/2AM5-UDP_decoy_scores.csv |
2A3B-CFF | data/2A/2A3B-CFF/2A3B-CFF_ligand.pdbqt | data/2A/2A3B-CFF/2A3B-CFF_target.pdbqt | data/2A/2A3B-CFF/2A3B-CFF_decoys.pdbqt | data/2A/2A3B-CFF/2A3B-CFF_decoy_scores.csv |
2A9Y-26A | data/2A/2A9Y-26A/2A9Y-26A_ligand.pdbqt | data/2A/2A9Y-26A/2A9Y-26A_target.pdbqt | data/2A/2A9Y-26A/2A9Y-26A_decoys.pdbqt | data/2A/2A9Y-26A/2A9Y-26A_decoy_scores.csv |
2ADU-R20 | data/2A/2ADU-R20/2ADU-R20_ligand.pdbqt | data/2A/2ADU-R20/2ADU-R20_target.pdbqt | data/2A/2ADU-R20/2ADU-R20_decoys.pdbqt | data/2A/2ADU-R20/2ADU-R20_decoy_scores.csv |
2A8W-UDP | data/2A/2A8W-UDP/2A8W-UDP_ligand.pdbqt | data/2A/2A8W-UDP/2A8W-UDP_target.pdbqt | data/2A/2A8W-UDP/2A8W-UDP_decoys.pdbqt | data/2A/2A8W-UDP/2A8W-UDP_decoy_scores.csv |
2AOU-CQA | data/2A/2AOU-CQA/2AOU-CQA_ligand.pdbqt | data/2A/2AOU-CQA/2AOU-CQA_target.pdbqt | data/2A/2AOU-CQA/2AOU-CQA_decoys.pdbqt | data/2A/2AOU-CQA/2AOU-CQA_decoy_scores.csv |
2AL4-CX6 | data/2A/2AL4-CX6/2AL4-CX6_ligand.pdbqt | data/2A/2AL4-CX6/2AL4-CX6_target.pdbqt | data/2A/2AL4-CX6/2AL4-CX6_decoys.pdbqt | data/2A/2AL4-CX6/2AL4-CX6_decoy_scores.csv |
2AQH-NAI | data/2A/2AQH-NAI/2AQH-NAI_ligand.pdbqt | data/2A/2AQH-NAI/2AQH-NAI_target.pdbqt | data/2A/2AQH-NAI/2AQH-NAI_decoys.pdbqt | data/2A/2AQH-NAI/2AQH-NAI_decoy_scores.csv |
2AF6-BRU | data/2A/2AF6-BRU/2AF6-BRU_ligand.pdbqt | data/2A/2AF6-BRU/2AF6-BRU_target.pdbqt | data/2A/2AF6-BRU/2AF6-BRU_decoys.pdbqt | data/2A/2AF6-BRU/2AF6-BRU_decoy_scores.csv |
2AJZ-ECG | data/2A/2AJZ-ECG/2AJZ-ECG_ligand.pdbqt | data/2A/2AJZ-ECG/2AJZ-ECG_target.pdbqt | data/2A/2AJZ-ECG/2AJZ-ECG_decoys.pdbqt | data/2A/2AJZ-ECG/2AJZ-ECG_decoy_scores.csv |
2AID-THK | data/2A/2AID-THK/2AID-THK_ligand.pdbqt | data/2A/2AID-THK/2AID-THK_target.pdbqt | data/2A/2AID-THK/2AID-THK_decoys.pdbqt | data/2A/2AID-THK/2AID-THK_decoy_scores.csv |
2AY8-4TB | data/2A/2AY8-4TB/2AY8-4TB_ligand.pdbqt | data/2A/2AY8-4TB/2AY8-4TB_target.pdbqt | data/2A/2AY8-4TB/2AY8-4TB_decoys.pdbqt | data/2A/2AY8-4TB/2AY8-4TB_decoy_scores.csv |
2AM1-1LG | data/2A/2AM1-1LG/2AM1-1LG_ligand.pdbqt | data/2A/2AM1-1LG/2AM1-1LG_target.pdbqt | data/2A/2AM1-1LG/2AM1-1LG_decoys.pdbqt | data/2A/2AM1-1LG/2AM1-1LG_decoy_scores.csv |
2AGC-DAO | data/2A/2AGC-DAO/2AGC-DAO_ligand.pdbqt | data/2A/2AGC-DAO/2AGC-DAO_target.pdbqt | data/2A/2AGC-DAO/2AGC-DAO_decoys.pdbqt | data/2A/2AGC-DAO/2AGC-DAO_decoy_scores.csv |
2A5F-GTP | data/2A/2A5F-GTP/2A5F-GTP_ligand.pdbqt | data/2A/2A5F-GTP/2A5F-GTP_target.pdbqt | data/2A/2A5F-GTP/2A5F-GTP_decoys.pdbqt | data/2A/2A5F-GTP/2A5F-GTP_decoy_scores.csv |
2ATI-IHU | data/2A/2ATI-IHU/2ATI-IHU_ligand.pdbqt | data/2A/2ATI-IHU/2ATI-IHU_target.pdbqt | data/2A/2ATI-IHU/2ATI-IHU_decoys.pdbqt | data/2A/2ATI-IHU/2ATI-IHU_decoy_scores.csv |
2AIX-U1K | data/2A/2AIX-U1K/2AIX-U1K_ligand.pdbqt | data/2A/2AIX-U1K/2AIX-U1K_target.pdbqt | data/2A/2AIX-U1K/2AIX-U1K_decoys.pdbqt | data/2A/2AIX-U1K/2AIX-U1K_decoy_scores.csv |
2A8Y-MTA | data/2A/2A8Y-MTA/2A8Y-MTA_ligand.pdbqt | data/2A/2A8Y-MTA/2A8Y-MTA_target.pdbqt | data/2A/2A8Y-MTA/2A8Y-MTA_decoys.pdbqt | data/2A/2A8Y-MTA/2A8Y-MTA_decoy_scores.csv |
2A2C-ADP | data/2A/2A2C-ADP/2A2C-ADP_ligand.pdbqt | data/2A/2A2C-ADP/2A2C-ADP_target.pdbqt | data/2A/2A2C-ADP/2A2C-ADP_decoys.pdbqt | data/2A/2A2C-ADP/2A2C-ADP_decoy_scores.csv |
2AXN-ADP | data/2A/2AXN-ADP/2AXN-ADP_ligand.pdbqt | data/2A/2AXN-ADP/2AXN-ADP_target.pdbqt | data/2A/2AXN-ADP/2AXN-ADP_decoys.pdbqt | data/2A/2AXN-ADP/2AXN-ADP_decoy_scores.csv |
2AJ4-ANP | data/2A/2AJ4-ANP/2AJ4-ANP_ligand.pdbqt | data/2A/2AJ4-ANP/2AJ4-ANP_target.pdbqt | data/2A/2AJ4-ANP/2AJ4-ANP_decoys.pdbqt | data/2A/2AJ4-ANP/2AJ4-ANP_decoy_scores.csv |
2AWN-ADP | data/2A/2AWN-ADP/2AWN-ADP_ligand.pdbqt | data/2A/2AWN-ADP/2AWN-ADP_target.pdbqt | data/2A/2AWN-ADP/2AWN-ADP_decoys.pdbqt | data/2A/2AWN-ADP/2AWN-ADP_decoy_scores.csv |
2AJS-P33 | data/2A/2AJS-P33/2AJS-P33_ligand.pdbqt | data/2A/2AJS-P33/2AJS-P33_target.pdbqt | data/2A/2AJS-P33/2AJS-P33_decoys.pdbqt | data/2A/2AJS-P33/2AJS-P33_decoy_scores.csv |
2AG4-OLA | data/2A/2AG4-OLA/2AG4-OLA_ligand.pdbqt | data/2A/2AG4-OLA/2AG4-OLA_target.pdbqt | data/2A/2AG4-OLA/2AG4-OLA_decoys.pdbqt | data/2A/2AG4-OLA/2AG4-OLA_decoy_scores.csv |
2A0Y-DIH | data/2A/2A0Y-DIH/2A0Y-DIH_ligand.pdbqt | data/2A/2A0Y-DIH/2A0Y-DIH_target.pdbqt | data/2A/2A0Y-DIH/2A0Y-DIH_decoys.pdbqt | data/2A/2A0Y-DIH/2A0Y-DIH_decoy_scores.csv |
2ABA-STR | data/2A/2ABA-STR/2ABA-STR_ligand.pdbqt | data/2A/2ABA-STR/2ABA-STR_target.pdbqt | data/2A/2ABA-STR/2ABA-STR_decoys.pdbqt | data/2A/2ABA-STR/2ABA-STR_decoy_scores.csv |
2ATJ-BHO | data/2A/2ATJ-BHO/2ATJ-BHO_ligand.pdbqt | data/2A/2ATJ-BHO/2ATJ-BHO_target.pdbqt | data/2A/2ATJ-BHO/2ATJ-BHO_decoys.pdbqt | data/2A/2ATJ-BHO/2ATJ-BHO_decoy_scores.csv |
2AXN-F6P | data/2A/2AXN-F6P/2AXN-F6P_ligand.pdbqt | data/2A/2AXN-F6P/2AXN-F6P_target.pdbqt | data/2A/2AXN-F6P/2AXN-F6P_decoys.pdbqt | data/2A/2AXN-F6P/2AXN-F6P_decoy_scores.csv |
2AYR-L4G | data/2A/2AYR-L4G/2AYR-L4G_ligand.pdbqt | data/2A/2AYR-L4G/2AYR-L4G_target.pdbqt | data/2A/2AYR-L4G/2AYR-L4G_decoys.pdbqt | data/2A/2AYR-L4G/2AYR-L4G_decoy_scores.csv |
2AL5-FWD | data/2A/2AL5-FWD/2AL5-FWD_ligand.pdbqt | data/2A/2AL5-FWD/2AL5-FWD_target.pdbqt | data/2A/2AL5-FWD/2AL5-FWD_decoys.pdbqt | data/2A/2AL5-FWD/2AL5-FWD_decoy_scores.csv |
2A4M-TRP | data/2A/2A4M-TRP/2A4M-TRP_ligand.pdbqt | data/2A/2A4M-TRP/2A4M-TRP_target.pdbqt | data/2A/2A4M-TRP/2A4M-TRP_decoys.pdbqt | data/2A/2A4M-TRP/2A4M-TRP_decoy_scores.csv |
2AVS-MK1 | data/2A/2AVS-MK1/2AVS-MK1_ligand.pdbqt | data/2A/2AVS-MK1/2AVS-MK1_target.pdbqt | data/2A/2AVS-MK1/2AVS-MK1_decoys.pdbqt | data/2A/2AVS-MK1/2AVS-MK1_decoy_scores.csv |
2A8S-GTP | data/2A/2A8S-GTP/2A8S-GTP_ligand.pdbqt | data/2A/2A8S-GTP/2A8S-GTP_target.pdbqt | data/2A/2A8S-GTP/2A8S-GTP_decoys.pdbqt | data/2A/2A8S-GTP/2A8S-GTP_decoy_scores.csv |
2AN4-SAH | data/2A/2AN4-SAH/2AN4-SAH_ligand.pdbqt | data/2A/2AN4-SAH/2AN4-SAH_target.pdbqt | data/2A/2AN4-SAH/2AN4-SAH_decoys.pdbqt | data/2A/2AN4-SAH/2AN4-SAH_decoy_scores.csv |
2A5F-NAD | data/2A/2A5F-NAD/2A5F-NAD_ligand.pdbqt | data/2A/2A5F-NAD/2A5F-NAD_target.pdbqt | data/2A/2A5F-NAD/2A5F-NAD_decoys.pdbqt | data/2A/2A5F-NAD/2A5F-NAD_decoy_scores.csv |
2ACV-UDP | data/2A/2ACV-UDP/2ACV-UDP_ligand.pdbqt | data/2A/2ACV-UDP/2ACV-UDP_target.pdbqt | data/2A/2ACV-UDP/2ACV-UDP_decoys.pdbqt | data/2A/2ACV-UDP/2ACV-UDP_decoy_scores.csv |
2A7P-3IL | data/2A/2A7P-3IL/2A7P-3IL_ligand.pdbqt | data/2A/2A7P-3IL/2A7P-3IL_target.pdbqt | data/2A/2A7P-3IL/2A7P-3IL_decoys.pdbqt | data/2A/2A7P-3IL/2A7P-3IL_decoy_scores.csv |
2A7N-FMN | data/2A/2A7N-FMN/2A7N-FMN_ligand.pdbqt | data/2A/2A7N-FMN/2A7N-FMN_target.pdbqt | data/2A/2A7N-FMN/2A7N-FMN_decoys.pdbqt | data/2A/2A7N-FMN/2A7N-FMN_decoy_scores.csv |
2AIB-ERG | data/2A/2AIB-ERG/2AIB-ERG_ligand.pdbqt | data/2A/2AIB-ERG/2AIB-ERG_target.pdbqt | data/2A/2AIB-ERG/2AIB-ERG_decoys.pdbqt | data/2A/2AIB-ERG/2AIB-ERG_decoy_scores.csv |
2A5D-GTP | data/2A/2A5D-GTP/2A5D-GTP_ligand.pdbqt | data/2A/2A5D-GTP/2A5D-GTP_target.pdbqt | data/2A/2A5D-GTP/2A5D-GTP_decoys.pdbqt | data/2A/2A5D-GTP/2A5D-GTP_decoy_scores.csv |
2AZ3-CDP | data/2A/2AZ3-CDP/2AZ3-CDP_ligand.pdbqt | data/2A/2AZ3-CDP/2AZ3-CDP_target.pdbqt | data/2A/2AZ3-CDP/2AZ3-CDP_decoys.pdbqt | data/2A/2AZ3-CDP/2AZ3-CDP_decoy_scores.csv |
2AXR-ABL | data/2A/2AXR-ABL/2AXR-ABL_ligand.pdbqt | data/2A/2AXR-ABL/2AXR-ABL_target.pdbqt | data/2A/2AXR-ABL/2AXR-ABL_decoys.pdbqt | data/2A/2AXR-ABL/2AXR-ABL_decoy_scores.csv |
2AA9-SKM | data/2A/2AA9-SKM/2AA9-SKM_ligand.pdbqt | data/2A/2AA9-SKM/2AA9-SKM_target.pdbqt | data/2A/2AA9-SKM/2AA9-SKM_decoys.pdbqt | data/2A/2AA9-SKM/2AA9-SKM_decoy_scores.csv |
2AJ4-GLA | data/2A/2AJ4-GLA/2AJ4-GLA_ligand.pdbqt | data/2A/2AJ4-GLA/2AJ4-GLA_target.pdbqt | data/2A/2AJ4-GLA/2AJ4-GLA_decoys.pdbqt | data/2A/2AJ4-GLA/2AJ4-GLA_decoy_scores.csv |
2AX4-ADP | data/2A/2AX4-ADP/2AX4-ADP_ligand.pdbqt | data/2A/2AX4-ADP/2AX4-ADP_target.pdbqt | data/2A/2AX4-ADP/2AX4-ADP_decoys.pdbqt | data/2A/2AX4-ADP/2AX4-ADP_decoy_scores.csv |
2A1N-CAM | data/2A/2A1N-CAM/2A1N-CAM_ligand.pdbqt | data/2A/2A1N-CAM/2A1N-CAM_target.pdbqt | data/2A/2A1N-CAM/2A1N-CAM_decoys.pdbqt | data/2A/2A1N-CAM/2A1N-CAM_decoy_scores.csv |
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