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 ⌀ |
|---|---|---|---|---|
5K1D-5GP | data/5K/5K1D-5GP/5K1D-5GP_ligand.pdbqt | data/5K/5K1D-5GP/5K1D-5GP_target.pdbqt | data/5K/5K1D-5GP/5K1D-5GP_decoys.pdbqt | data/5K/5K1D-5GP/5K1D-5GP_decoy_scores.csv |
5KTQ-DCP | data/5K/5KTQ-DCP/5KTQ-DCP_ligand.pdbqt | data/5K/5KTQ-DCP/5KTQ-DCP_target.pdbqt | data/5K/5KTQ-DCP/5KTQ-DCP_decoys.pdbqt | data/5K/5KTQ-DCP/5KTQ-DCP_decoy_scores.csv |
5KLN-NAD | data/5K/5KLN-NAD/5KLN-NAD_ligand.pdbqt | data/5K/5KLN-NAD/5KLN-NAD_target.pdbqt | data/5K/5KLN-NAD/5KLN-NAD_decoys.pdbqt | data/5K/5KLN-NAD/5KLN-NAD_decoy_scores.csv |
5K6M-BGC | data/5K/5K6M-BGC/5K6M-BGC_ligand.pdbqt | data/5K/5K6M-BGC/5K6M-BGC_target.pdbqt | data/5K/5K6M-BGC/5K6M-BGC_decoys.pdbqt | data/5K/5K6M-BGC/5K6M-BGC_decoy_scores.csv |
5KMA-777 | data/5K/5KMA-777/5KMA-777_ligand.pdbqt | data/5K/5KMA-777/5KMA-777_target.pdbqt | data/5K/5KMA-777/5KMA-777_decoys.pdbqt | data/5K/5KMA-777/5KMA-777_decoy_scores.csv |
5K0J-NHE | data/5K/5K0J-NHE/5K0J-NHE_ligand.pdbqt | data/5K/5K0J-NHE/5K0J-NHE_target.pdbqt | data/5K/5K0J-NHE/5K0J-NHE_decoys.pdbqt | data/5K/5K0J-NHE/5K0J-NHE_decoy_scores.csv |
5KRF-6WL | data/5K/5KRF-6WL/5KRF-6WL_ligand.pdbqt | data/5K/5KRF-6WL/5KRF-6WL_target.pdbqt | data/5K/5KRF-6WL/5KRF-6WL_decoys.pdbqt | data/5K/5KRF-6WL/5KRF-6WL_decoy_scores.csv |
5KMW-PNN | data/5K/5KMW-PNN/5KMW-PNN_ligand.pdbqt | data/5K/5KMW-PNN/5KMW-PNN_target.pdbqt | data/5K/5KMW-PNN/5KMW-PNN_decoys.pdbqt | data/5K/5KMW-PNN/5KMW-PNN_decoy_scores.csv |
5KXH-GDP | data/5K/5KXH-GDP/5KXH-GDP_ligand.pdbqt | data/5K/5KXH-GDP/5KXH-GDP_target.pdbqt | data/5K/5KXH-GDP/5KXH-GDP_decoys.pdbqt | data/5K/5KXH-GDP/5KXH-GDP_decoy_scores.csv |
5KHW-ADP | data/5K/5KHW-ADP/5KHW-ADP_ligand.pdbqt | data/5K/5KHW-ADP/5KHW-ADP_target.pdbqt | data/5K/5KHW-ADP/5KHW-ADP_decoys.pdbqt | data/5K/5KHW-ADP/5KHW-ADP_decoy_scores.csv |
5KMS-NAD | data/5K/5KMS-NAD/5KMS-NAD_ligand.pdbqt | data/5K/5KMS-NAD/5KMS-NAD_target.pdbqt | data/5K/5KMS-NAD/5KMS-NAD_decoys.pdbqt | data/5K/5KMS-NAD/5KMS-NAD_decoy_scores.csv |
5KZI-6YN | data/5K/5KZI-6YN/5KZI-6YN_ligand.pdbqt | data/5K/5KZI-6YN/5KZI-6YN_target.pdbqt | data/5K/5KZI-6YN/5KZI-6YN_decoys.pdbqt | data/5K/5KZI-6YN/5KZI-6YN_decoy_scores.csv |
5KU8-6XK | data/5K/5KU8-6XK/5KU8-6XK_ligand.pdbqt | data/5K/5KU8-6XK/5KU8-6XK_target.pdbqt | data/5K/5KU8-6XK/5KU8-6XK_decoys.pdbqt | data/5K/5KU8-6XK/5KU8-6XK_decoy_scores.csv |
5KKH-OLB | data/5K/5KKH-OLB/5KKH-OLB_ligand.pdbqt | data/5K/5KKH-OLB/5KKH-OLB_target.pdbqt | data/5K/5KKH-OLB/5KKH-OLB_decoys.pdbqt | data/5K/5KKH-OLB/5KKH-OLB_decoy_scores.csv |
5KCT-OB6 | data/5K/5KCT-OB6/5KCT-OB6_ligand.pdbqt | data/5K/5KCT-OB6/5KCT-OB6_target.pdbqt | data/5K/5KCT-OB6/5KCT-OB6_decoys.pdbqt | data/5K/5KCT-OB6/5KCT-OB6_decoy_scores.csv |
5KWY-C3S | data/5K/5KWY-C3S/5KWY-C3S_ligand.pdbqt | data/5K/5KWY-C3S/5KWY-C3S_target.pdbqt | data/5K/5KWY-C3S/5KWY-C3S_decoys.pdbqt | data/5K/5KWY-C3S/5KWY-C3S_decoy_scores.csv |
5KE0-6S9 | data/5K/5KE0-6S9/5KE0-6S9_ligand.pdbqt | data/5K/5KE0-6S9/5KE0-6S9_target.pdbqt | data/5K/5KE0-6S9/5KE0-6S9_decoys.pdbqt | data/5K/5KE0-6S9/5KE0-6S9_decoy_scores.csv |
5K4W-NAI | data/5K/5K4W-NAI/5K4W-NAI_ligand.pdbqt | data/5K/5K4W-NAI/5K4W-NAI_target.pdbqt | data/5K/5K4W-NAI/5K4W-NAI_decoys.pdbqt | data/5K/5K4W-NAI/5K4W-NAI_decoy_scores.csv |
5KF6-NAD | data/5K/5KF6-NAD/5KF6-NAD_ligand.pdbqt | data/5K/5KF6-NAD/5KF6-NAD_target.pdbqt | data/5K/5KF6-NAD/5KF6-NAD_decoys.pdbqt | data/5K/5KF6-NAD/5KF6-NAD_decoy_scores.csv |
5KJ5-NAD | data/5K/5KJ5-NAD/5KJ5-NAD_ligand.pdbqt | data/5K/5KJ5-NAD/5KJ5-NAD_target.pdbqt | data/5K/5KJ5-NAD/5KJ5-NAD_decoys.pdbqt | data/5K/5KJ5-NAD/5KJ5-NAD_decoy_scores.csv |
5KM5-TR5 | data/5K/5KM5-TR5/5KM5-TR5_ligand.pdbqt | data/5K/5KM5-TR5/5KM5-TR5_target.pdbqt | data/5K/5KM5-TR5/5KM5-TR5_decoys.pdbqt | data/5K/5KM5-TR5/5KM5-TR5_decoy_scores.csv |
5K2B-OLA | data/5K/5K2B-OLA/5K2B-OLA_ligand.pdbqt | data/5K/5K2B-OLA/5K2B-OLA_target.pdbqt | data/5K/5K2B-OLA/5K2B-OLA_decoys.pdbqt | data/5K/5K2B-OLA/5K2B-OLA_decoy_scores.csv |
5K2B-CLR | data/5K/5K2B-CLR/5K2B-CLR_ligand.pdbqt | data/5K/5K2B-CLR/5K2B-CLR_target.pdbqt | data/5K/5K2B-CLR/5K2B-CLR_decoys.pdbqt | data/5K/5K2B-CLR/5K2B-CLR_decoy_scores.csv |
5K48-S5Z | data/5K/5K48-S5Z/5K48-S5Z_ligand.pdbqt | data/5K/5K48-S5Z/5K48-S5Z_target.pdbqt | data/5K/5K48-S5Z/5K48-S5Z_decoys.pdbqt | data/5K/5K48-S5Z/5K48-S5Z_decoy_scores.csv |
5KCW-OB9 | data/5K/5KCW-OB9/5KCW-OB9_ligand.pdbqt | data/5K/5KCW-OB9/5KCW-OB9_target.pdbqt | data/5K/5KCW-OB9/5KCW-OB9_decoys.pdbqt | data/5K/5KCW-OB9/5KCW-OB9_decoy_scores.csv |
5KYV-SLU | data/5K/5KYV-SLU/5KYV-SLU_ligand.pdbqt | data/5K/5KYV-SLU/5KYV-SLU_target.pdbqt | data/5K/5KYV-SLU/5KYV-SLU_decoys.pdbqt | data/5K/5KYV-SLU/5KYV-SLU_decoy_scores.csv |
5KOT-6VU | data/5K/5KOT-6VU/5KOT-6VU_ligand.pdbqt | data/5K/5KOT-6VU/5KOT-6VU_target.pdbqt | data/5K/5KOT-6VU/5KOT-6VU_decoys.pdbqt | data/5K/5KOT-6VU/5KOT-6VU_decoy_scores.csv |
5K00-6PV | data/5K/5K00-6PV/5K00-6PV_ligand.pdbqt | data/5K/5K00-6PV/5K00-6PV_target.pdbqt | data/5K/5K00-6PV/5K00-6PV_decoys.pdbqt | data/5K/5K00-6PV/5K00-6PV_decoy_scores.csv |
5K56-FBP | data/5K/5K56-FBP/5K56-FBP_ligand.pdbqt | data/5K/5K56-FBP/5K56-FBP_target.pdbqt | data/5K/5K56-FBP/5K56-FBP_decoys.pdbqt | data/5K/5K56-FBP/5K56-FBP_decoy_scores.csv |
5K5B-LBV | data/5K/5K5B-LBV/5K5B-LBV_ligand.pdbqt | data/5K/5K5B-LBV/5K5B-LBV_target.pdbqt | data/5K/5K5B-LBV/5K5B-LBV_decoys.pdbqt | data/5K/5K5B-LBV/5K5B-LBV_decoy_scores.csv |
5KRU-THP | data/5K/5KRU-THP/5KRU-THP_ligand.pdbqt | data/5K/5KRU-THP/5KRU-THP_target.pdbqt | data/5K/5KRU-THP/5KRU-THP_decoys.pdbqt | data/5K/5KRU-THP/5KRU-THP_decoy_scores.csv |
5KCH-6RN | data/5K/5KCH-6RN/5KCH-6RN_ligand.pdbqt | data/5K/5KCH-6RN/5KCH-6RN_target.pdbqt | data/5K/5KCH-6RN/5KCH-6RN_decoys.pdbqt | data/5K/5KCH-6RN/5KCH-6RN_decoy_scores.csv |
5KLK-6OH | data/5K/5KLK-6OH/5KLK-6OH_ligand.pdbqt | data/5K/5KLK-6OH/5KLK-6OH_target.pdbqt | data/5K/5KLK-6OH/5KLK-6OH_decoys.pdbqt | data/5K/5KLK-6OH/5KLK-6OH_decoy_scores.csv |
5K9C-ORO | data/5K/5K9C-ORO/5K9C-ORO_ligand.pdbqt | data/5K/5K9C-ORO/5K9C-ORO_target.pdbqt | data/5K/5K9C-ORO/5K9C-ORO_decoys.pdbqt | data/5K/5K9C-ORO/5K9C-ORO_decoy_scores.csv |
5K9B-FMN | data/5K/5K9B-FMN/5K9B-FMN_ligand.pdbqt | data/5K/5K9B-FMN/5K9B-FMN_target.pdbqt | data/5K/5K9B-FMN/5K9B-FMN_decoys.pdbqt | data/5K/5K9B-FMN/5K9B-FMN_decoy_scores.csv |
5KGE-6SN | data/5K/5KGE-6SN/5KGE-6SN_ligand.pdbqt | data/5K/5KGE-6SN/5KGE-6SN_target.pdbqt | data/5K/5KGE-6SN/5KGE-6SN_decoys.pdbqt | data/5K/5KGE-6SN/5KGE-6SN_decoy_scores.csv |
5K4Y-NAD | data/5K/5K4Y-NAD/5K4Y-NAD_ligand.pdbqt | data/5K/5K4Y-NAD/5K4Y-NAD_target.pdbqt | data/5K/5K4Y-NAD/5K4Y-NAD_decoys.pdbqt | data/5K/5K4Y-NAD/5K4Y-NAD_decoy_scores.csv |
5KN7-LMT | data/5K/5KN7-LMT/5KN7-LMT_ligand.pdbqt | data/5K/5KN7-LMT/5KN7-LMT_target.pdbqt | data/5K/5KN7-LMT/5KN7-LMT_decoys.pdbqt | data/5K/5KN7-LMT/5KN7-LMT_decoy_scores.csv |
5K85-PRX | data/5K/5K85-PRX/5K85-PRX_ligand.pdbqt | data/5K/5K85-PRX/5K85-PRX_target.pdbqt | data/5K/5K85-PRX/5K85-PRX_decoys.pdbqt | data/5K/5K85-PRX/5K85-PRX_decoy_scores.csv |
5KKW-KH2 | data/5K/5KKW-KH2/5KKW-KH2_ligand.pdbqt | data/5K/5KKW-KH2/5KKW-KH2_target.pdbqt | data/5K/5KKW-KH2/5KKW-KH2_decoys.pdbqt | data/5K/5KKW-KH2/5KKW-KH2_decoy_scores.csv |
5KNX-6WC | data/5K/5KNX-6WC/5KNX-6WC_ligand.pdbqt | data/5K/5KNX-6WC/5KNX-6WC_target.pdbqt | data/5K/5KNX-6WC/5KNX-6WC_decoys.pdbqt | data/5K/5KNX-6WC/5KNX-6WC_decoy_scores.csv |
5KJW-53C | data/5K/5KJW-53C/5KJW-53C_ligand.pdbqt | data/5K/5KJW-53C/5KJW-53C_target.pdbqt | data/5K/5KJW-53C/5KJW-53C_decoys.pdbqt | data/5K/5KJW-53C/5KJW-53C_decoy_scores.csv |
5KOZ-CAP | data/5K/5KOZ-CAP/5KOZ-CAP_ligand.pdbqt | data/5K/5KOZ-CAP/5KOZ-CAP_target.pdbqt | data/5K/5KOZ-CAP/5KOZ-CAP_decoys.pdbqt | data/5K/5KOZ-CAP/5KOZ-CAP_decoy_scores.csv |
5KO6-R1P | data/5K/5KO6-R1P/5KO6-R1P_ligand.pdbqt | data/5K/5KO6-R1P/5KO6-R1P_target.pdbqt | data/5K/5KO6-R1P/5KO6-R1P_decoys.pdbqt | data/5K/5KO6-R1P/5KO6-R1P_decoy_scores.csv |
5KQX-ROC | data/5K/5KQX-ROC/5KQX-ROC_ligand.pdbqt | data/5K/5KQX-ROC/5KQX-ROC_target.pdbqt | data/5K/5KQX-ROC/5KQX-ROC_decoys.pdbqt | data/5K/5KQX-ROC/5KQX-ROC_decoy_scores.csv |
5KJ2-6TF | data/5K/5KJ2-6TF/5KJ2-6TF_ligand.pdbqt | data/5K/5KJ2-6TF/5KJ2-6TF_target.pdbqt | data/5K/5KJ2-6TF/5KJ2-6TF_decoys.pdbqt | data/5K/5KJ2-6TF/5KJ2-6TF_decoy_scores.csv |
5K2A-OLA | data/5K/5K2A-OLA/5K2A-OLA_ligand.pdbqt | data/5K/5K2A-OLA/5K2A-OLA_target.pdbqt | data/5K/5K2A-OLA/5K2A-OLA_decoys.pdbqt | data/5K/5K2A-OLA/5K2A-OLA_decoy_scores.csv |
5KOH-HCA | data/5K/5KOH-HCA/5KOH-HCA_ligand.pdbqt | data/5K/5KOH-HCA/5KOH-HCA_target.pdbqt | null | null |
5KJC-PFB | data/5K/5KJC-PFB/5KJC-PFB_ligand.pdbqt | data/5K/5KJC-PFB/5KJC-PFB_target.pdbqt | data/5K/5KJC-PFB/5KJC-PFB_decoys.pdbqt | data/5K/5KJC-PFB/5KJC-PFB_decoy_scores.csv |
5KRA-6WS | data/5K/5KRA-6WS/5KRA-6WS_ligand.pdbqt | data/5K/5KRA-6WS/5KRA-6WS_target.pdbqt | data/5K/5KRA-6WS/5KRA-6WS_decoys.pdbqt | data/5K/5KRA-6WS/5KRA-6WS_decoy_scores.csv |
5KOS-6VS | data/5K/5KOS-6VS/5KOS-6VS_ligand.pdbqt | data/5K/5KOS-6VS/5KOS-6VS_target.pdbqt | data/5K/5KOS-6VS/5KOS-6VS_decoys.pdbqt | data/5K/5KOS-6VS/5KOS-6VS_decoy_scores.csv |
5K55-F6P | data/5K/5K55-F6P/5K55-F6P_ligand.pdbqt | data/5K/5K55-F6P/5K55-F6P_target.pdbqt | data/5K/5K55-F6P/5K55-F6P_decoys.pdbqt | data/5K/5K55-F6P/5K55-F6P_decoy_scores.csv |
5KY8-BGC | data/5K/5KY8-BGC/5KY8-BGC_ligand.pdbqt | data/5K/5KY8-BGC/5KY8-BGC_target.pdbqt | data/5K/5KY8-BGC/5KY8-BGC_decoys.pdbqt | data/5K/5KY8-BGC/5KY8-BGC_decoy_scores.csv |
5K1X-ANP | data/5K/5K1X-ANP/5K1X-ANP_ligand.pdbqt | data/5K/5K1X-ANP/5K1X-ANP_target.pdbqt | data/5K/5K1X-ANP/5K1X-ANP_decoys.pdbqt | data/5K/5K1X-ANP/5K1X-ANP_decoy_scores.csv |
5K41-ADQ | data/5K/5K41-ADQ/5K41-ADQ_ligand.pdbqt | data/5K/5K41-ADQ/5K41-ADQ_target.pdbqt | data/5K/5K41-ADQ/5K41-ADQ_decoys.pdbqt | data/5K/5K41-ADQ/5K41-ADQ_decoy_scores.csv |
5K2D-OLB | data/5K/5K2D-OLB/5K2D-OLB_ligand.pdbqt | data/5K/5K2D-OLB/5K2D-OLB_target.pdbqt | data/5K/5K2D-OLB/5K2D-OLB_decoys.pdbqt | data/5K/5K2D-OLB/5K2D-OLB_decoy_scores.csv |
5KJE-PFB | data/5K/5KJE-PFB/5KJE-PFB_ligand.pdbqt | data/5K/5KJE-PFB/5KJE-PFB_target.pdbqt | data/5K/5KJE-PFB/5KJE-PFB_decoys.pdbqt | data/5K/5KJE-PFB/5KJE-PFB_decoy_scores.csv |
5KEJ-GTX | data/5K/5KEJ-GTX/5KEJ-GTX_ligand.pdbqt | data/5K/5KEJ-GTX/5KEJ-GTX_target.pdbqt | data/5K/5KEJ-GTX/5KEJ-GTX_decoys.pdbqt | data/5K/5KEJ-GTX/5KEJ-GTX_decoy_scores.csv |
5KYL-THP | data/5K/5KYL-THP/5KYL-THP_ligand.pdbqt | data/5K/5KYL-THP/5KYL-THP_target.pdbqt | data/5K/5KYL-THP/5KYL-THP_decoys.pdbqt | data/5K/5KYL-THP/5KYL-THP_decoy_scores.csv |
5K2B-OLB | data/5K/5K2B-OLB/5K2B-OLB_ligand.pdbqt | data/5K/5K2B-OLB/5K2B-OLB_target.pdbqt | data/5K/5K2B-OLB/5K2B-OLB_decoys.pdbqt | data/5K/5K2B-OLB/5K2B-OLB_decoy_scores.csv |
5KZD-RCJ | data/5K/5KZD-RCJ/5KZD-RCJ_ligand.pdbqt | data/5K/5KZD-RCJ/5KZD-RCJ_target.pdbqt | data/5K/5KZD-RCJ/5KZD-RCJ_decoys.pdbqt | data/5K/5KZD-RCJ/5KZD-RCJ_decoy_scores.csv |
5K1M-FMN | data/5K/5K1M-FMN/5K1M-FMN_ligand.pdbqt | data/5K/5K1M-FMN/5K1M-FMN_target.pdbqt | data/5K/5K1M-FMN/5K1M-FMN_decoys.pdbqt | data/5K/5K1M-FMN/5K1M-FMN_decoy_scores.csv |
5K2A-OLC | data/5K/5K2A-OLC/5K2A-OLC_ligand.pdbqt | data/5K/5K2A-OLC/5K2A-OLC_target.pdbqt | data/5K/5K2A-OLC/5K2A-OLC_decoys.pdbqt | data/5K/5K2A-OLC/5K2A-OLC_decoy_scores.csv |
5KX6-GDP | data/5K/5KX6-GDP/5KX6-GDP_ligand.pdbqt | data/5K/5KX6-GDP/5KX6-GDP_target.pdbqt | data/5K/5KX6-GDP/5KX6-GDP_decoys.pdbqt | data/5K/5KX6-GDP/5KX6-GDP_decoy_scores.csv |
5KUK-DMU | data/5K/5KUK-DMU/5KUK-DMU_ligand.pdbqt | data/5K/5KUK-DMU/5KUK-DMU_target.pdbqt | data/5K/5KUK-DMU/5KUK-DMU_decoys.pdbqt | data/5K/5KUK-DMU/5KUK-DMU_decoy_scores.csv |
5KQL-6VY | data/5K/5KQL-6VY/5KQL-6VY_ligand.pdbqt | data/5K/5KQL-6VY/5KQL-6VY_target.pdbqt | data/5K/5KQL-6VY/5KQL-6VY_decoys.pdbqt | data/5K/5KQL-6VY/5KQL-6VY_decoy_scores.csv |
5KY2-BGC | data/5K/5KY2-BGC/5KY2-BGC_ligand.pdbqt | data/5K/5KY2-BGC/5KY2-BGC_target.pdbqt | data/5K/5KY2-BGC/5KY2-BGC_decoys.pdbqt | data/5K/5KY2-BGC/5KY2-BGC_decoy_scores.csv |
5KJ6-NAJ | data/5K/5KJ6-NAJ/5KJ6-NAJ_ligand.pdbqt | data/5K/5KJ6-NAJ/5KJ6-NAJ_target.pdbqt | data/5K/5KJ6-NAJ/5KJ6-NAJ_decoys.pdbqt | data/5K/5KJ6-NAJ/5KJ6-NAJ_decoy_scores.csv |
5KM1-5GP | data/5K/5KM1-5GP/5KM1-5GP_ligand.pdbqt | data/5K/5KM1-5GP/5KM1-5GP_target.pdbqt | data/5K/5KM1-5GP/5KM1-5GP_decoys.pdbqt | data/5K/5KM1-5GP/5KM1-5GP_decoy_scores.csv |
5KCZ-NAJ | data/5K/5KCZ-NAJ/5KCZ-NAJ_ligand.pdbqt | data/5K/5KCZ-NAJ/5KCZ-NAJ_target.pdbqt | data/5K/5KCZ-NAJ/5KCZ-NAJ_decoys.pdbqt | data/5K/5KCZ-NAJ/5KCZ-NAJ_decoy_scores.csv |
5KGI-6SF | data/5K/5KGI-6SF/5KGI-6SF_ligand.pdbqt | data/5K/5KGI-6SF/5KGI-6SF_target.pdbqt | data/5K/5KGI-6SF/5KGI-6SF_decoys.pdbqt | data/5K/5KGI-6SF/5KGI-6SF_decoy_scores.csv |
5KBF-CMP | data/5K/5KBF-CMP/5KBF-CMP_ligand.pdbqt | data/5K/5KBF-CMP/5KBF-CMP_target.pdbqt | data/5K/5KBF-CMP/5KBF-CMP_decoys.pdbqt | data/5K/5KBF-CMP/5KBF-CMP_decoy_scores.csv |
5K6O-GAL | data/5K/5K6O-GAL/5K6O-GAL_ligand.pdbqt | data/5K/5K6O-GAL/5K6O-GAL_target.pdbqt | data/5K/5K6O-GAL/5K6O-GAL_decoys.pdbqt | data/5K/5K6O-GAL/5K6O-GAL_decoy_scores.csv |
5KP4-6VW | data/5K/5KP4-6VW/5KP4-6VW_ligand.pdbqt | data/5K/5KP4-6VW/5KP4-6VW_target.pdbqt | data/5K/5KP4-6VW/5KP4-6VW_decoys.pdbqt | data/5K/5KP4-6VW/5KP4-6VW_decoy_scores.csv |
5KLP-IHP | data/5K/5KLP-IHP/5KLP-IHP_ligand.pdbqt | data/5K/5KLP-IHP/5KLP-IHP_target.pdbqt | data/5K/5KLP-IHP/5KLP-IHP_decoys.pdbqt | data/5K/5KLP-IHP/5KLP-IHP_decoy_scores.csv |
5KEW-6SB | data/5K/5KEW-6SB/5KEW-6SB_ligand.pdbqt | data/5K/5KEW-6SB/5KEW-6SB_target.pdbqt | data/5K/5KEW-6SB/5KEW-6SB_decoys.pdbqt | data/5K/5KEW-6SB/5KEW-6SB_decoy_scores.csv |
5KVT-YMX | data/5K/5KVT-YMX/5KVT-YMX_ligand.pdbqt | data/5K/5KVT-YMX/5KVT-YMX_target.pdbqt | data/5K/5KVT-YMX/5KVT-YMX_decoys.pdbqt | data/5K/5KVT-YMX/5KVT-YMX_decoy_scores.csv |
5K50-NAD | data/5K/5K50-NAD/5K50-NAD_ligand.pdbqt | data/5K/5K50-NAD/5K50-NAD_target.pdbqt | data/5K/5K50-NAD/5K50-NAD_decoys.pdbqt | data/5K/5K50-NAD/5K50-NAD_decoy_scores.csv |
5K0G-6PM | data/5K/5K0G-6PM/5K0G-6PM_ligand.pdbqt | data/5K/5K0G-6PM/5K0G-6PM_target.pdbqt | data/5K/5K0G-6PM/5K0G-6PM_decoys.pdbqt | data/5K/5K0G-6PM/5K0G-6PM_decoy_scores.csv |
5KR8-6WE | data/5K/5KR8-6WE/5KR8-6WE_ligand.pdbqt | data/5K/5KR8-6WE/5KR8-6WE_target.pdbqt | data/5K/5KR8-6WE/5KR8-6WE_decoys.pdbqt | data/5K/5KR8-6WE/5KR8-6WE_decoy_scores.csv |
5K0C-6OZ | data/5K/5K0C-6OZ/5K0C-6OZ_ligand.pdbqt | data/5K/5K0C-6OZ/5K0C-6OZ_target.pdbqt | data/5K/5K0C-6OZ/5K0C-6OZ_decoys.pdbqt | data/5K/5K0C-6OZ/5K0C-6OZ_decoy_scores.csv |
5KJC-NAJ | data/5K/5KJC-NAJ/5KJC-NAJ_ligand.pdbqt | data/5K/5KJC-NAJ/5KJC-NAJ_target.pdbqt | data/5K/5KJC-NAJ/5KJC-NAJ_decoys.pdbqt | data/5K/5KJC-NAJ/5KJC-NAJ_decoy_scores.csv |
5KO8-IYR | data/5K/5KO8-IYR/5KO8-IYR_ligand.pdbqt | data/5K/5KO8-IYR/5KO8-IYR_target.pdbqt | data/5K/5KO8-IYR/5KO8-IYR_decoys.pdbqt | data/5K/5KO8-IYR/5KO8-IYR_decoy_scores.csv |
5K8V-PG6 | data/5K/5K8V-PG6/5K8V-PG6_ligand.pdbqt | data/5K/5K8V-PG6/5K8V-PG6_target.pdbqt | data/5K/5K8V-PG6/5K8V-PG6_decoys.pdbqt | data/5K/5K8V-PG6/5K8V-PG6_decoy_scores.csv |
5K8U-ADP | data/5K/5K8U-ADP/5K8U-ADP_ligand.pdbqt | data/5K/5K8U-ADP/5K8U-ADP_target.pdbqt | data/5K/5K8U-ADP/5K8U-ADP_decoys.pdbqt | data/5K/5K8U-ADP/5K8U-ADP_decoy_scores.csv |
5KY7-BGC | data/5K/5KY7-BGC/5KY7-BGC_ligand.pdbqt | data/5K/5KY7-BGC/5KY7-BGC_target.pdbqt | data/5K/5KY7-BGC/5KY7-BGC_decoys.pdbqt | data/5K/5KY7-BGC/5KY7-BGC_decoy_scores.csv |
5KPZ-ADP | data/5K/5KPZ-ADP/5KPZ-ADP_ligand.pdbqt | data/5K/5KPZ-ADP/5KPZ-ADP_target.pdbqt | data/5K/5KPZ-ADP/5KPZ-ADP_decoys.pdbqt | data/5K/5KPZ-ADP/5KPZ-ADP_decoy_scores.csv |
5K4M-NPO | data/5K/5K4M-NPO/5K4M-NPO_ligand.pdbqt | data/5K/5K4M-NPO/5K4M-NPO_target.pdbqt | data/5K/5K4M-NPO/5K4M-NPO_decoys.pdbqt | data/5K/5K4M-NPO/5K4M-NPO_decoy_scores.csv |
5KNK-11A | data/5K/5KNK-11A/5KNK-11A_ligand.pdbqt | data/5K/5KNK-11A/5KNK-11A_target.pdbqt | data/5K/5KNK-11A/5KNK-11A_decoys.pdbqt | data/5K/5KNK-11A/5KNK-11A_decoy_scores.csv |
5K1W-FMN | data/5K/5K1W-FMN/5K1W-FMN_ligand.pdbqt | data/5K/5K1W-FMN/5K1W-FMN_target.pdbqt | data/5K/5K1W-FMN/5K1W-FMN_decoys.pdbqt | data/5K/5K1W-FMN/5K1W-FMN_decoy_scores.csv |
5KHH-6SW | data/5K/5KHH-6SW/5KHH-6SW_ligand.pdbqt | data/5K/5KHH-6SW/5KHH-6SW_target.pdbqt | data/5K/5KHH-6SW/5KHH-6SW_decoys.pdbqt | data/5K/5KHH-6SW/5KHH-6SW_decoy_scores.csv |
5KT1-4MI | data/5K/5KT1-4MI/5KT1-4MI_ligand.pdbqt | data/5K/5KT1-4MI/5KT1-4MI_target.pdbqt | data/5K/5KT1-4MI/5KT1-4MI_decoys.pdbqt | data/5K/5KT1-4MI/5KT1-4MI_decoy_scores.csv |
5K3Y-6Q4 | data/5K/5K3Y-6Q4/5K3Y-6Q4_ligand.pdbqt | data/5K/5K3Y-6Q4/5K3Y-6Q4_target.pdbqt | data/5K/5K3Y-6Q4/5K3Y-6Q4_decoys.pdbqt | data/5K/5K3Y-6Q4/5K3Y-6Q4_decoy_scores.csv |
5KAB-OTA | data/5K/5KAB-OTA/5KAB-OTA_ligand.pdbqt | data/5K/5KAB-OTA/5KAB-OTA_target.pdbqt | data/5K/5KAB-OTA/5KAB-OTA_decoys.pdbqt | data/5K/5KAB-OTA/5KAB-OTA_decoy_scores.csv |
5KH9-6T5 | data/5K/5KH9-6T5/5KH9-6T5_ligand.pdbqt | data/5K/5KH9-6T5/5KH9-6T5_target.pdbqt | data/5K/5KH9-6T5/5KH9-6T5_decoys.pdbqt | data/5K/5KH9-6T5/5KH9-6T5_decoy_scores.csv |
5KK4-44E | data/5K/5KK4-44E/5KK4-44E_ligand.pdbqt | data/5K/5KK4-44E/5KK4-44E_target.pdbqt | data/5K/5KK4-44E/5KK4-44E_decoys.pdbqt | data/5K/5KK4-44E/5KK4-44E_decoy_scores.csv |
5KGS-6SR | data/5K/5KGS-6SR/5KGS-6SR_ligand.pdbqt | data/5K/5KGS-6SR/5KGS-6SR_target.pdbqt | data/5K/5KGS-6SR/5KGS-6SR_decoys.pdbqt | data/5K/5KGS-6SR/5KGS-6SR_decoy_scores.csv |
5KY3-GFB | data/5K/5KY3-GFB/5KY3-GFB_ligand.pdbqt | data/5K/5KY3-GFB/5KY3-GFB_target.pdbqt | data/5K/5KY3-GFB/5KY3-GFB_decoys.pdbqt | data/5K/5KY3-GFB/5KY3-GFB_decoy_scores.csv |
5KU3-6XH | data/5K/5KU3-6XH/5KU3-6XH_ligand.pdbqt | data/5K/5KU3-6XH/5KU3-6XH_target.pdbqt | data/5K/5KU3-6XH/5KU3-6XH_decoys.pdbqt | data/5K/5KU3-6XH/5KU3-6XH_decoy_scores.csv |
5K2D-OLC | data/5K/5K2D-OLC/5K2D-OLC_ligand.pdbqt | data/5K/5K2D-OLC/5K2D-OLC_target.pdbqt | data/5K/5K2D-OLC/5K2D-OLC_decoys.pdbqt | data/5K/5K2D-OLC/5K2D-OLC_decoy_scores.csv |
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