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 ⌀ |
|---|---|---|---|---|
3NB9-BLA | data/3N/3NB9-BLA/3NB9-BLA_ligand.pdbqt | data/3N/3NB9-BLA/3NB9-BLA_target.pdbqt | data/3N/3NB9-BLA/3NB9-BLA_decoys.pdbqt | data/3N/3NB9-BLA/3NB9-BLA_decoy_scores.csv |
3NGC-HNL | data/3N/3NGC-HNL/3NGC-HNL_ligand.pdbqt | data/3N/3NGC-HNL/3NGC-HNL_target.pdbqt | data/3N/3NGC-HNL/3NGC-HNL_decoys.pdbqt | data/3N/3NGC-HNL/3NGC-HNL_decoy_scores.csv |
3NY7-SXM | data/3N/3NY7-SXM/3NY7-SXM_ligand.pdbqt | data/3N/3NY7-SXM/3NY7-SXM_target.pdbqt | data/3N/3NY7-SXM/3NY7-SXM_decoys.pdbqt | data/3N/3NY7-SXM/3NY7-SXM_decoy_scores.csv |
3NY4-SMX | data/3N/3NY4-SMX/3NY4-SMX_ligand.pdbqt | data/3N/3NY4-SMX/3NY4-SMX_target.pdbqt | data/3N/3NY4-SMX/3NY4-SMX_decoys.pdbqt | data/3N/3NY4-SMX/3NY4-SMX_decoy_scores.csv |
2NO9-LTT | data/2N/2NO9-LTT/2NO9-LTT_ligand.pdbqt | data/2N/2NO9-LTT/2NO9-LTT_target.pdbqt | data/2N/2NO9-LTT/2NO9-LTT_decoys.pdbqt | data/2N/2NO9-LTT/2NO9-LTT_decoy_scores.csv |
2NQI-NQI | data/2N/2NQI-NQI/2NQI-NQI_ligand.pdbqt | data/2N/2NQI-NQI/2NQI-NQI_target.pdbqt | data/2N/2NQI-NQI/2NQI-NQI_decoys.pdbqt | data/2N/2NQI-NQI/2NQI-NQI_decoy_scores.csv |
2NTG-R7A | data/2N/2NTG-R7A/2NTG-R7A_ligand.pdbqt | data/2N/2NTG-R7A/2NTG-R7A_target.pdbqt | data/2N/2NTG-R7A/2NTG-R7A_decoys.pdbqt | data/2N/2NTG-R7A/2NTG-R7A_decoy_scores.csv |
2NTH-MTN | data/2N/2NTH-MTN/2NTH-MTN_ligand.pdbqt | data/2N/2NTH-MTN/2NTH-MTN_target.pdbqt | data/2N/2NTH-MTN/2NTH-MTN_decoys.pdbqt | data/2N/2NTH-MTN/2NTH-MTN_decoy_scores.csv |
2NZJ-GDP | data/2N/2NZJ-GDP/2NZJ-GDP_ligand.pdbqt | data/2N/2NZJ-GDP/2NZJ-GDP_target.pdbqt | data/2N/2NZJ-GDP/2NZJ-GDP_decoys.pdbqt | data/2N/2NZJ-GDP/2NZJ-GDP_decoy_scores.csv |
2NMX-M25 | data/2N/2NMX-M25/2NMX-M25_ligand.pdbqt | data/2N/2NMX-M25/2NMX-M25_target.pdbqt | data/2N/2NMX-M25/2NMX-M25_decoys.pdbqt | data/2N/2NMX-M25/2NMX-M25_decoy_scores.csv |
2NNL-ERD | data/2N/2NNL-ERD/2NNL-ERD_ligand.pdbqt | data/2N/2NNL-ERD/2NNL-ERD_target.pdbqt | data/2N/2NNL-ERD/2NNL-ERD_decoys.pdbqt | data/2N/2NNL-ERD/2NNL-ERD_decoy_scores.csv |
2NTR-L00 | data/2N/2NTR-L00/2NTR-L00_ligand.pdbqt | data/2N/2NTR-L00/2NTR-L00_target.pdbqt | data/2N/2NTR-L00/2NTR-L00_decoys.pdbqt | data/2N/2NTR-L00/2NTR-L00_decoy_scores.csv |
2NNQ-T4B | data/2N/2NNQ-T4B/2NNQ-T4B_ligand.pdbqt | data/2N/2NNQ-T4B/2NNQ-T4B_target.pdbqt | data/2N/2NNQ-T4B/2NNQ-T4B_decoys.pdbqt | data/2N/2NNQ-T4B/2NNQ-T4B_decoy_scores.csv |
2NQG-NQG | data/2N/2NQG-NQG/2NQG-NQG_ligand.pdbqt | data/2N/2NQG-NQG/2NQG-NQG_target.pdbqt | data/2N/2NQG-NQG/2NQG-NQG_decoys.pdbqt | data/2N/2NQG-NQG/2NQG-NQG_decoy_scores.csv |
2NG1-GDP | data/2N/2NG1-GDP/2NG1-GDP_ligand.pdbqt | data/2N/2NG1-GDP/2NG1-GDP_target.pdbqt | data/2N/2NG1-GDP/2NG1-GDP_decoys.pdbqt | data/2N/2NG1-GDP/2NG1-GDP_decoy_scores.csv |
2NND-PRZ | data/2N/2NND-PRZ/2NND-PRZ_ligand.pdbqt | data/2N/2NND-PRZ/2NND-PRZ_target.pdbqt | data/2N/2NND-PRZ/2NND-PRZ_decoys.pdbqt | data/2N/2NND-PRZ/2NND-PRZ_decoy_scores.csv |
2NZU-BG6 | data/2N/2NZU-BG6/2NZU-BG6_ligand.pdbqt | data/2N/2NZU-BG6/2NZU-BG6_target.pdbqt | data/2N/2NZU-BG6/2NZU-BG6_decoys.pdbqt | data/2N/2NZU-BG6/2NZU-BG6_decoy_scores.csv |
2NTI-7PG | data/2N/2NTI-7PG/2NTI-7PG_ligand.pdbqt | data/2N/2NTI-7PG/2NTI-7PG_target.pdbqt | data/2N/2NTI-7PG/2NTI-7PG_decoys.pdbqt | data/2N/2NTI-7PG/2NTI-7PG_decoy_scores.csv |
2NX3-1NT | data/2N/2NX3-1NT/2NX3-1NT_ligand.pdbqt | data/2N/2NX3-1NT/2NX3-1NT_target.pdbqt | data/2N/2NX3-1NT/2NX3-1NT_decoys.pdbqt | data/2N/2NX3-1NT/2NX3-1NT_decoy_scores.csv |
2NZ2-CIR | data/2N/2NZ2-CIR/2NZ2-CIR_ligand.pdbqt | data/2N/2NZ2-CIR/2NZ2-CIR_target.pdbqt | data/2N/2NZ2-CIR/2NZ2-CIR_decoys.pdbqt | data/2N/2NZ2-CIR/2NZ2-CIR_decoy_scores.csv |
2NSD-NAD | data/2N/2NSD-NAD/2NSD-NAD_ligand.pdbqt | data/2N/2NSD-NAD/2NSD-NAD_target.pdbqt | data/2N/2NSD-NAD/2NSD-NAD_decoys.pdbqt | data/2N/2NSD-NAD/2NSD-NAD_decoy_scores.csv |
2NCD-ADP | data/2N/2NCD-ADP/2NCD-ADP_ligand.pdbqt | data/2N/2NCD-ADP/2NCD-ADP_target.pdbqt | data/2N/2NCD-ADP/2NCD-ADP_decoys.pdbqt | data/2N/2NCD-ADP/2NCD-ADP_decoy_scores.csv |
2NXH-PEP | data/2N/2NXH-PEP/2NXH-PEP_ligand.pdbqt | data/2N/2NXH-PEP/2NXH-PEP_target.pdbqt | data/2N/2NXH-PEP/2NXH-PEP_decoys.pdbqt | data/2N/2NXH-PEP/2NXH-PEP_decoy_scores.csv |
2NN1-M28 | data/2N/2NN1-M28/2NN1-M28_ligand.pdbqt | data/2N/2NN1-M28/2NN1-M28_target.pdbqt | data/2N/2NN1-M28/2NN1-M28_decoys.pdbqt | data/2N/2NN1-M28/2NN1-M28_decoy_scores.csv |
2NUO-BGC | data/2N/2NUO-BGC/2NUO-BGC_ligand.pdbqt | data/2N/2NUO-BGC/2NUO-BGC_target.pdbqt | data/2N/2NUO-BGC/2NUO-BGC_decoys.pdbqt | data/2N/2NUO-BGC/2NUO-BGC_decoy_scores.csv |
2NZY-GDP | data/2N/2NZY-GDP/2NZY-GDP_ligand.pdbqt | data/2N/2NZY-GDP/2NZY-GDP_target.pdbqt | data/2N/2NZY-GDP/2NZY-GDP_decoys.pdbqt | data/2N/2NZY-GDP/2NZY-GDP_decoy_scores.csv |
2NX3-PEP | data/2N/2NX3-PEP/2NX3-PEP_ligand.pdbqt | data/2N/2NX3-PEP/2NX3-PEP_target.pdbqt | data/2N/2NX3-PEP/2NX3-PEP_decoys.pdbqt | data/2N/2NX3-PEP/2NX3-PEP_decoy_scores.csv |
2NN7-M29 | data/2N/2NN7-M29/2NN7-M29_ligand.pdbqt | data/2N/2NN7-M29/2NN7-M29_target.pdbqt | data/2N/2NN7-M29/2NN7-M29_decoys.pdbqt | data/2N/2NN7-M29/2NN7-M29_decoy_scores.csv |
2NSD-4PI | data/2N/2NSD-4PI/2NSD-4PI_ligand.pdbqt | data/2N/2NSD-4PI/2NSD-4PI_target.pdbqt | data/2N/2NSD-4PI/2NSD-4PI_decoys.pdbqt | data/2N/2NSD-4PI/2NSD-4PI_decoy_scores.csv |
2NZL-FMN | data/2N/2NZL-FMN/2NZL-FMN_ligand.pdbqt | data/2N/2NZL-FMN/2NZL-FMN_target.pdbqt | data/2N/2NZL-FMN/2NZL-FMN_decoys.pdbqt | data/2N/2NZL-FMN/2NZL-FMN_decoy_scores.csv |
2NPA-MMB | data/2N/2NPA-MMB/2NPA-MMB_ligand.pdbqt | data/2N/2NPA-MMB/2NPA-MMB_target.pdbqt | data/2N/2NPA-MMB/2NPA-MMB_decoys.pdbqt | data/2N/2NPA-MMB/2NPA-MMB_decoy_scores.csv |
2NNS-M25 | data/2N/2NNS-M25/2NNS-M25_ligand.pdbqt | data/2N/2NNS-M25/2NNS-M25_target.pdbqt | data/2N/2NNS-M25/2NNS-M25_decoys.pdbqt | data/2N/2NNS-M25/2NNS-M25_decoy_scores.csv |
2NSJ-C2R | data/2N/2NSJ-C2R/2NSJ-C2R_ligand.pdbqt | data/2N/2NSJ-C2R/2NSJ-C2R_target.pdbqt | data/2N/2NSJ-C2R/2NSJ-C2R_decoys.pdbqt | data/2N/2NSJ-C2R/2NSJ-C2R_decoy_scores.csv |
2NRU-T12 | data/2N/2NRU-T12/2NRU-T12_ligand.pdbqt | data/2N/2NRU-T12/2NRU-T12_target.pdbqt | data/2N/2NRU-T12/2NRU-T12_decoys.pdbqt | data/2N/2NRU-T12/2NRU-T12_decoy_scores.csv |
2NWS-PEP | data/2N/2NWS-PEP/2NWS-PEP_ligand.pdbqt | data/2N/2NWS-PEP/2NWS-PEP_target.pdbqt | data/2N/2NWS-PEP/2NWS-PEP_decoys.pdbqt | data/2N/2NWS-PEP/2NWS-PEP_decoy_scores.csv |
2NW8-TRP | data/2N/2NW8-TRP/2NW8-TRP_ligand.pdbqt | data/2N/2NW8-TRP/2NW8-TRP_target.pdbqt | data/2N/2NW8-TRP/2NW8-TRP_decoys.pdbqt | data/2N/2NW8-TRP/2NW8-TRP_decoy_scores.csv |
2NNK-ROC | data/2N/2NNK-ROC/2NNK-ROC_ligand.pdbqt | data/2N/2NNK-ROC/2NNK-ROC_target.pdbqt | data/2N/2NNK-ROC/2NNK-ROC_decoys.pdbqt | data/2N/2NNK-ROC/2NNK-ROC_decoy_scores.csv |
2NX3-A5P | data/2N/2NX3-A5P/2NX3-A5P_ligand.pdbqt | data/2N/2NX3-A5P/2NX3-A5P_target.pdbqt | data/2N/2NX3-A5P/2NX3-A5P_decoys.pdbqt | data/2N/2NX3-A5P/2NX3-A5P_decoy_scores.csv |
2NMZ-ROC | data/2N/2NMZ-ROC/2NMZ-ROC_ligand.pdbqt | data/2N/2NMZ-ROC/2NMZ-ROC_target.pdbqt | data/2N/2NMZ-ROC/2NMZ-ROC_decoys.pdbqt | data/2N/2NMZ-ROC/2NMZ-ROC_decoy_scores.csv |
2NT8-ATP | data/2N/2NT8-ATP/2NT8-ATP_ligand.pdbqt | data/2N/2NT8-ATP/2NT8-ATP_target.pdbqt | data/2N/2NT8-ATP/2NT8-ATP_decoys.pdbqt | data/2N/2NT8-ATP/2NT8-ATP_decoy_scores.csv |
2NOA-3TC | data/2N/2NOA-3TC/2NOA-3TC_ligand.pdbqt | data/2N/2NOA-3TC/2NOA-3TC_target.pdbqt | data/2N/2NOA-3TC/2NOA-3TC_decoys.pdbqt | data/2N/2NOA-3TC/2NOA-3TC_decoy_scores.csv |
2NV4-SAM | data/2N/2NV4-SAM/2NV4-SAM_ligand.pdbqt | data/2N/2NV4-SAM/2NV4-SAM_target.pdbqt | data/2N/2NV4-SAM/2NV4-SAM_decoys.pdbqt | data/2N/2NV4-SAM/2NV4-SAM_decoy_scores.csv |
2NSY-AMP | data/2N/2NSY-AMP/2NSY-AMP_ligand.pdbqt | data/2N/2NSY-AMP/2NSY-AMP_target.pdbqt | data/2N/2NSY-AMP/2NSY-AMP_decoys.pdbqt | data/2N/2NSY-AMP/2NSY-AMP_decoy_scores.csv |
2NYU-SAM | data/2N/2NYU-SAM/2NYU-SAM_ligand.pdbqt | data/2N/2NYU-SAM/2NYU-SAM_target.pdbqt | data/2N/2NYU-SAM/2NYU-SAM_decoys.pdbqt | data/2N/2NYU-SAM/2NYU-SAM_decoy_scores.csv |
2NNO-M28 | data/2N/2NNO-M28/2NNO-M28_ligand.pdbqt | data/2N/2NNO-M28/2NNO-M28_target.pdbqt | data/2N/2NNO-M28/2NNO-M28_decoys.pdbqt | data/2N/2NNO-M28/2NNO-M28_decoy_scores.csv |
2NO7-ADP | data/2N/2NO7-ADP/2NO7-ADP_ligand.pdbqt | data/2N/2NO7-ADP/2NO7-ADP_target.pdbqt | data/2N/2NO7-ADP/2NO7-ADP_decoys.pdbqt | data/2N/2NO7-ADP/2NO7-ADP_decoy_scores.csv |
2NNJ-PLM | data/2N/2NNJ-PLM/2NNJ-PLM_ligand.pdbqt | data/2N/2NNJ-PLM/2NNJ-PLM_target.pdbqt | data/2N/2NNJ-PLM/2NNJ-PLM_decoys.pdbqt | data/2N/2NNJ-PLM/2NNJ-PLM_decoy_scores.csv |
2NUI-BTB | data/2N/2NUI-BTB/2NUI-BTB_ligand.pdbqt | data/2N/2NUI-BTB/2NUI-BTB_target.pdbqt | data/2N/2NUI-BTB/2NUI-BTB_decoys.pdbqt | data/2N/2NUI-BTB/2NUI-BTB_decoy_scores.csv |
2NSX-IFM | data/2N/2NSX-IFM/2NSX-IFM_ligand.pdbqt | data/2N/2NSX-IFM/2NSX-IFM_target.pdbqt | data/2N/2NSX-IFM/2NSX-IFM_decoys.pdbqt | data/2N/2NSX-IFM/2NSX-IFM_decoy_scores.csv |
2NV2-GLN | data/2N/2NV2-GLN/2NV2-GLN_ligand.pdbqt | data/2N/2NV2-GLN/2NV2-GLN_target.pdbqt | data/2N/2NV2-GLN/2NV2-GLN_decoys.pdbqt | data/2N/2NV2-GLN/2NV2-GLN_decoy_scores.csv |
2NSH-NIA | data/2N/2NSH-NIA/2NSH-NIA_ligand.pdbqt | data/2N/2NSH-NIA/2NSH-NIA_target.pdbqt | data/2N/2NSH-NIA/2NSH-NIA_decoys.pdbqt | data/2N/2NSH-NIA/2NSH-NIA_decoy_scores.csv |
2NO9-ADP | data/2N/2NO9-ADP/2NO9-ADP_ligand.pdbqt | data/2N/2NO9-ADP/2NO9-ADP_target.pdbqt | data/2N/2NO9-ADP/2NO9-ADP_decoys.pdbqt | data/2N/2NO9-ADP/2NO9-ADP_decoy_scores.csv |
2NQ6-HM4 | data/2N/2NQ6-HM4/2NQ6-HM4_ligand.pdbqt | data/2N/2NQ6-HM4/2NQ6-HM4_target.pdbqt | data/2N/2NQ6-HM4/2NQ6-HM4_decoys.pdbqt | data/2N/2NQ6-HM4/2NQ6-HM4_decoy_scores.csv |
2NX1-PEP | data/2N/2NX1-PEP/2NX1-PEP_ligand.pdbqt | data/2N/2NX1-PEP/2NX1-PEP_target.pdbqt | data/2N/2NX1-PEP/2NX1-PEP_decoys.pdbqt | data/2N/2NX1-PEP/2NX1-PEP_decoy_scores.csv |
2NP5-LMT | data/2N/2NP5-LMT/2NP5-LMT_ligand.pdbqt | data/2N/2NP5-LMT/2NP5-LMT_target.pdbqt | data/2N/2NP5-LMT/2NP5-LMT_decoys.pdbqt | data/2N/2NP5-LMT/2NP5-LMT_decoy_scores.csv |
2NZY-FUC | data/2N/2NZY-FUC/2NZY-FUC_ligand.pdbqt | data/2N/2NZY-FUC/2NZY-FUC_target.pdbqt | data/2N/2NZY-FUC/2NZY-FUC_decoys.pdbqt | data/2N/2NZY-FUC/2NZY-FUC_decoy_scores.csv |
2NZ5-226 | data/2N/2NZ5-226/2NZ5-226_ligand.pdbqt | data/2N/2NZ5-226/2NZ5-226_target.pdbqt | data/2N/2NZ5-226/2NZ5-226_decoys.pdbqt | data/2N/2NZ5-226/2NZ5-226_decoy_scores.csv |
2NSE-H4B | data/2N/2NSE-H4B/2NSE-H4B_ligand.pdbqt | data/2N/2NSE-H4B/2NSE-H4B_target.pdbqt | data/2N/2NSE-H4B/2NSE-H4B_decoys.pdbqt | data/2N/2NSE-H4B/2NSE-H4B_decoy_scores.csv |
2NNJ-225 | data/2N/2NNJ-225/2NNJ-225_ligand.pdbqt | data/2N/2NNJ-225/2NNJ-225_target.pdbqt | data/2N/2NNJ-225/2NNJ-225_decoys.pdbqt | data/2N/2NNJ-225/2NNJ-225_decoy_scores.csv |
2NRY-STU | data/2N/2NRY-STU/2NRY-STU_ligand.pdbqt | data/2N/2NRY-STU/2NRY-STU_target.pdbqt | data/2N/2NRY-STU/2NRY-STU_decoys.pdbqt | data/2N/2NRY-STU/2NRY-STU_decoy_scores.csv |
2NR9-PA6 | data/2N/2NR9-PA6/2NR9-PA6_ligand.pdbqt | data/2N/2NR9-PA6/2NR9-PA6_target.pdbqt | data/2N/2NR9-PA6/2NR9-PA6_decoys.pdbqt | data/2N/2NR9-PA6/2NR9-PA6_decoy_scores.csv |
2NP8-CC3 | data/2N/2NP8-CC3/2NP8-CC3_ligand.pdbqt | data/2N/2NP8-CC3/2NP8-CC3_target.pdbqt | data/2N/2NP8-CC3/2NP8-CC3_decoys.pdbqt | data/2N/2NP8-CC3/2NP8-CC3_decoy_scores.csv |
2NWR-PEP | data/2N/2NWR-PEP/2NWR-PEP_ligand.pdbqt | data/2N/2NWR-PEP/2NWR-PEP_target.pdbqt | data/2N/2NWR-PEP/2NWR-PEP_decoys.pdbqt | data/2N/2NWR-PEP/2NWR-PEP_decoy_scores.csv |
2NVC-ITA | data/2N/2NVC-ITA/2NVC-ITA_ligand.pdbqt | data/2N/2NVC-ITA/2NVC-ITA_target.pdbqt | data/2N/2NVC-ITA/2NVC-ITA_decoys.pdbqt | data/2N/2NVC-ITA/2NVC-ITA_decoy_scores.csv |
2NZT-GLC | data/2N/2NZT-GLC/2NZT-GLC_ligand.pdbqt | data/2N/2NZT-GLC/2NZT-GLC_target.pdbqt | data/2N/2NZT-GLC/2NZT-GLC_decoys.pdbqt | data/2N/2NZT-GLC/2NZT-GLC_decoy_scores.csv |
2NO7-LDC | data/2N/2NO7-LDC/2NO7-LDC_ligand.pdbqt | data/2N/2NO7-LDC/2NO7-LDC_target.pdbqt | data/2N/2NO7-LDC/2NO7-LDC_decoys.pdbqt | data/2N/2NO7-LDC/2NO7-LDC_decoy_scores.csv |
2NS1-ADP | data/2N/2NS1-ADP/2NS1-ADP_ligand.pdbqt | data/2N/2NS1-ADP/2NS1-ADP_target.pdbqt | data/2N/2NS1-ADP/2NS1-ADP_decoys.pdbqt | data/2N/2NS1-ADP/2NS1-ADP_decoy_scores.csv |
2NTW-RET | data/2N/2NTW-RET/2NTW-RET_ligand.pdbqt | data/2N/2NTW-RET/2NTW-RET_target.pdbqt | data/2N/2NTW-RET/2NTW-RET_decoys.pdbqt | data/2N/2NTW-RET/2NTW-RET_decoy_scores.csv |
2NUU-ADP | data/2N/2NUU-ADP/2NUU-ADP_ligand.pdbqt | data/2N/2NUU-ADP/2NUU-ADP_target.pdbqt | data/2N/2NUU-ADP/2NUU-ADP_decoys.pdbqt | data/2N/2NUU-ADP/2NUU-ADP_decoy_scores.csv |
2NO0-GEO | data/2N/2NO0-GEO/2NO0-GEO_ligand.pdbqt | data/2N/2NO0-GEO/2NO0-GEO_target.pdbqt | data/2N/2NO0-GEO/2NO0-GEO_decoys.pdbqt | data/2N/2NO0-GEO/2NO0-GEO_decoy_scores.csv |
2NTK-IMP | data/2N/2NTK-IMP/2NTK-IMP_ligand.pdbqt | data/2N/2NTK-IMP/2NTK-IMP_target.pdbqt | data/2N/2NTK-IMP/2NTK-IMP_decoys.pdbqt | data/2N/2NTK-IMP/2NTK-IMP_decoy_scores.csv |
2NT7-902 | data/2N/2NT7-902/2NT7-902_ligand.pdbqt | data/2N/2NT7-902/2NT7-902_target.pdbqt | data/2N/2NT7-902/2NT7-902_decoys.pdbqt | data/2N/2NT7-902/2NT7-902_decoy_scores.csv |
2NXG-PEP | data/2N/2NXG-PEP/2NXG-PEP_ligand.pdbqt | data/2N/2NXG-PEP/2NXG-PEP_target.pdbqt | data/2N/2NXG-PEP/2NXG-PEP_decoys.pdbqt | data/2N/2NXG-PEP/2NXG-PEP_decoy_scores.csv |
2NSL-C2R | data/2N/2NSL-C2R/2NSL-C2R_ligand.pdbqt | data/2N/2NSL-C2R/2NSL-C2R_target.pdbqt | data/2N/2NSL-C2R/2NSL-C2R_decoys.pdbqt | data/2N/2NSL-C2R/2NSL-C2R_decoy_scores.csv |
2NZT-BG6 | data/2N/2NZT-BG6/2NZT-BG6_ligand.pdbqt | data/2N/2NZT-BG6/2NZT-BG6_target.pdbqt | data/2N/2NZT-BG6/2NZT-BG6_decoys.pdbqt | data/2N/2NZT-BG6/2NZT-BG6_decoy_scores.csv |
2NGR-GDP | data/2N/2NGR-GDP/2NGR-GDP_ligand.pdbqt | data/2N/2NGR-GDP/2NGR-GDP_target.pdbqt | null | null |
2NTA-521 | data/2N/2NTA-521/2NTA-521_ligand.pdbqt | data/2N/2NTA-521/2NTA-521_target.pdbqt | data/2N/2NTA-521/2NTA-521_decoys.pdbqt | data/2N/2NTA-521/2NTA-521_decoy_scores.csv |
2NX1-RP5 | data/2N/2NX1-RP5/2NX1-RP5_ligand.pdbqt | data/2N/2NX1-RP5/2NX1-RP5_target.pdbqt | data/2N/2NX1-RP5/2NX1-RP5_decoys.pdbqt | data/2N/2NX1-RP5/2NX1-RP5_decoy_scores.csv |
2NO6-ETV | data/2N/2NO6-ETV/2NO6-ETV_ligand.pdbqt | data/2N/2NO6-ETV/2NO6-ETV_target.pdbqt | data/2N/2NO6-ETV/2NO6-ETV_decoys.pdbqt | data/2N/2NO6-ETV/2NO6-ETV_decoy_scores.csv |
2NR4-FMN | data/2N/2NR4-FMN/2NR4-FMN_ligand.pdbqt | data/2N/2NR4-FMN/2NR4-FMN_target.pdbqt | data/2N/2NR4-FMN/2NR4-FMN_decoys.pdbqt | data/2N/2NR4-FMN/2NR4-FMN_decoy_scores.csv |
2NO6-ADP | data/2N/2NO6-ADP/2NO6-ADP_ligand.pdbqt | data/2N/2NO6-ADP/2NO6-ADP_target.pdbqt | data/2N/2NO6-ADP/2NO6-ADP_decoys.pdbqt | data/2N/2NO6-ADP/2NO6-ADP_decoy_scores.csv |
2NXI-PEP | data/2N/2NXI-PEP/2NXI-PEP_ligand.pdbqt | data/2N/2NXI-PEP/2NXI-PEP_target.pdbqt | data/2N/2NXI-PEP/2NXI-PEP_decoys.pdbqt | data/2N/2NXI-PEP/2NXI-PEP_decoy_scores.csv |
2NQZ-PRF | data/2N/2NQZ-PRF/2NQZ-PRF_ligand.pdbqt | data/2N/2NQZ-PRF/2NQZ-PRF_target.pdbqt | data/2N/2NQZ-PRF/2NQZ-PRF_decoys.pdbqt | data/2N/2NQZ-PRF/2NQZ-PRF_decoy_scores.csv |
2NXG-1NT | data/2N/2NXG-1NT/2NXG-1NT_ligand.pdbqt | data/2N/2NXG-1NT/2NXG-1NT_target.pdbqt | data/2N/2NXG-1NT/2NXG-1NT_decoys.pdbqt | data/2N/2NXG-1NT/2NXG-1NT_decoy_scores.csv |
2NUC-THP | data/2N/2NUC-THP/2NUC-THP_ligand.pdbqt | data/2N/2NUC-THP/2NUC-THP_target.pdbqt | data/2N/2NUC-THP/2NUC-THP_decoys.pdbqt | data/2N/2NUC-THP/2NUC-THP_decoy_scores.csv |
2NPX-NAD | data/2N/2NPX-NAD/2NPX-NAD_ligand.pdbqt | data/2N/2NPX-NAD/2NPX-NAD_target.pdbqt | data/2N/2NPX-NAD/2NPX-NAD_decoys.pdbqt | data/2N/2NPX-NAD/2NPX-NAD_decoy_scores.csv |
2NW9-FT6 | data/2N/2NW9-FT6/2NW9-FT6_ligand.pdbqt | data/2N/2NW9-FT6/2NW9-FT6_target.pdbqt | data/2N/2NW9-FT6/2NW9-FT6_decoys.pdbqt | data/2N/2NW9-FT6/2NW9-FT6_decoy_scores.csv |
2NO1-DCZ | data/2N/2NO1-DCZ/2NO1-DCZ_ligand.pdbqt | data/2N/2NO1-DCZ/2NO1-DCZ_target.pdbqt | data/2N/2NO1-DCZ/2NO1-DCZ_decoys.pdbqt | data/2N/2NO1-DCZ/2NO1-DCZ_decoy_scores.csv |
2NP5-NDS | data/2N/2NP5-NDS/2NP5-NDS_ligand.pdbqt | data/2N/2NP5-NDS/2NP5-NDS_target.pdbqt | data/2N/2NP5-NDS/2NP5-NDS_decoys.pdbqt | data/2N/2NP5-NDS/2NP5-NDS_decoy_scores.csv |
2NW6-POT | data/2N/2NW6-POT/2NW6-POT_ligand.pdbqt | data/2N/2NW6-POT/2NW6-POT_target.pdbqt | data/2N/2NW6-POT/2NW6-POT_decoys.pdbqt | data/2N/2NW6-POT/2NW6-POT_decoy_scores.csv |
2NVD-ITB | data/2N/2NVD-ITB/2NVD-ITB_ligand.pdbqt | data/2N/2NVD-ITB/2NVD-ITB_target.pdbqt | data/2N/2NVD-ITB/2NVD-ITB_decoys.pdbqt | data/2N/2NVD-ITB/2NVD-ITB_decoy_scores.csv |
2NPN-SAM | data/2N/2NPN-SAM/2NPN-SAM_ligand.pdbqt | data/2N/2NPN-SAM/2NPN-SAM_target.pdbqt | data/2N/2NPN-SAM/2NPN-SAM_decoys.pdbqt | data/2N/2NPN-SAM/2NPN-SAM_decoy_scores.csv |
2NM2-NEU | data/2N/2NM2-NEU/2NM2-NEU_ligand.pdbqt | data/2N/2NM2-NEU/2NM2-NEU_target.pdbqt | data/2N/2NM2-NEU/2NM2-NEU_decoys.pdbqt | data/2N/2NM2-NEU/2NM2-NEU_decoy_scores.csv |
2NR9-PQE | data/2N/2NR9-PQE/2NR9-PQE_ligand.pdbqt | data/2N/2NR9-PQE/2NR9-PQE_target.pdbqt | data/2N/2NR9-PQE/2NR9-PQE_decoys.pdbqt | data/2N/2NR9-PQE/2NR9-PQE_decoy_scores.csv |
2NQ7-HM5 | data/2N/2NQ7-HM5/2NQ7-HM5_ligand.pdbqt | data/2N/2NQ7-HM5/2NQ7-HM5_target.pdbqt | data/2N/2NQ7-HM5/2NQ7-HM5_decoys.pdbqt | data/2N/2NQ7-HM5/2NQ7-HM5_decoy_scores.csv |
2NOM-DUT | data/2N/2NOM-DUT/2NOM-DUT_ligand.pdbqt | data/2N/2NOM-DUT/2NOM-DUT_target.pdbqt | data/2N/2NOM-DUT/2NOM-DUT_decoys.pdbqt | data/2N/2NOM-DUT/2NOM-DUT_decoy_scores.csv |
2NTU-RET | data/2N/2NTU-RET/2NTU-RET_ligand.pdbqt | data/2N/2NTU-RET/2NTU-RET_target.pdbqt | data/2N/2NTU-RET/2NTU-RET_decoys.pdbqt | data/2N/2NTU-RET/2NTU-RET_decoy_scores.csv |
2NM3-MPU | data/2N/2NM3-MPU/2NM3-MPU_ligand.pdbqt | data/2N/2NM3-MPU/2NM3-MPU_target.pdbqt | data/2N/2NM3-MPU/2NM3-MPU_decoys.pdbqt | data/2N/2NM3-MPU/2NM3-MPU_decoy_scores.csv |
2NNG-ZYX | data/2N/2NNG-ZYX/2NNG-ZYX_ligand.pdbqt | data/2N/2NNG-ZYX/2NNG-ZYX_target.pdbqt | data/2N/2NNG-ZYX/2NNG-ZYX_decoys.pdbqt | data/2N/2NNG-ZYX/2NNG-ZYX_decoy_scores.csv |
2NVA-PL2 | data/2N/2NVA-PL2/2NVA-PL2_ligand.pdbqt | data/2N/2NVA-PL2/2NVA-PL2_target.pdbqt | data/2N/2NVA-PL2/2NVA-PL2_decoys.pdbqt | data/2N/2NVA-PL2/2NVA-PL2_decoy_scores.csv |
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