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 ⌀ |
|---|---|---|---|---|
1K06-BZD | data/1K/1K06-BZD/1K06-BZD_ligand.pdbqt | data/1K/1K06-BZD/1K06-BZD_target.pdbqt | data/1K/1K06-BZD/1K06-BZD_decoys.pdbqt | data/1K/1K06-BZD/1K06-BZD_decoy_scores.csv |
1KME-BGC | data/1K/1KME-BGC/1KME-BGC_ligand.pdbqt | data/1K/1KME-BGC/1KME-BGC_target.pdbqt | data/1K/1KME-BGC/1KME-BGC_decoys.pdbqt | data/1K/1KME-BGC/1KME-BGC_decoy_scores.csv |
1KG9-RET | data/1K/1KG9-RET/1KG9-RET_ligand.pdbqt | data/1K/1KG9-RET/1KG9-RET_target.pdbqt | data/1K/1KG9-RET/1KG9-RET_decoys.pdbqt | data/1K/1KG9-RET/1KG9-RET_decoy_scores.csv |
1K3U-IAD | data/1K/1K3U-IAD/1K3U-IAD_ligand.pdbqt | data/1K/1K3U-IAD/1K3U-IAD_target.pdbqt | data/1K/1K3U-IAD/1K3U-IAD_decoys.pdbqt | data/1K/1K3U-IAD/1K3U-IAD_decoy_scores.csv |
1KJ9-MPO | data/1K/1KJ9-MPO/1KJ9-MPO_ligand.pdbqt | data/1K/1KJ9-MPO/1KJ9-MPO_target.pdbqt | data/1K/1KJ9-MPO/1KJ9-MPO_decoys.pdbqt | data/1K/1KJ9-MPO/1KJ9-MPO_decoy_scores.csv |
1KQC-FMN | data/1K/1KQC-FMN/1KQC-FMN_ligand.pdbqt | data/1K/1KQC-FMN/1KQC-FMN_target.pdbqt | data/1K/1KQC-FMN/1KQC-FMN_decoys.pdbqt | data/1K/1KQC-FMN/1KQC-FMN_decoy_scores.csv |
1KBC-HLE | data/1K/1KBC-HLE/1KBC-HLE_ligand.pdbqt | data/1K/1KBC-HLE/1KBC-HLE_target.pdbqt | data/1K/1KBC-HLE/1KBC-HLE_decoys.pdbqt | data/1K/1KBC-HLE/1KBC-HLE_decoy_scores.csv |
1K1N-CCR | data/1K/1K1N-CCR/1K1N-CCR_ligand.pdbqt | data/1K/1K1N-CCR/1K1N-CCR_target.pdbqt | data/1K/1K1N-CCR/1K1N-CCR_decoys.pdbqt | data/1K/1K1N-CCR/1K1N-CCR_decoy_scores.csv |
1KYW-HFL | data/1K/1KYW-HFL/1KYW-HFL_ligand.pdbqt | data/1K/1KYW-HFL/1KYW-HFL_target.pdbqt | data/1K/1KYW-HFL/1KYW-HFL_decoys.pdbqt | data/1K/1KYW-HFL/1KYW-HFL_decoy_scores.csv |
1KAK-FNP | data/1K/1KAK-FNP/1KAK-FNP_ligand.pdbqt | data/1K/1KAK-FNP/1KAK-FNP_target.pdbqt | data/1K/1KAK-FNP/1KAK-FNP_decoys.pdbqt | data/1K/1KAK-FNP/1KAK-FNP_decoy_scores.csv |
1K8Z-IAG | data/1K/1K8Z-IAG/1K8Z-IAG_ligand.pdbqt | data/1K/1K8Z-IAG/1K8Z-IAG_target.pdbqt | data/1K/1K8Z-IAG/1K8Z-IAG_decoys.pdbqt | data/1K/1K8Z-IAG/1K8Z-IAG_decoy_scores.csv |
1KP2-ATP | data/1K/1KP2-ATP/1KP2-ATP_ligand.pdbqt | data/1K/1KP2-ATP/1KP2-ATP_target.pdbqt | data/1K/1KP2-ATP/1KP2-ATP_decoys.pdbqt | data/1K/1KP2-ATP/1KP2-ATP_decoy_scores.csv |
1KJ8-GAR | data/1K/1KJ8-GAR/1KJ8-GAR_ligand.pdbqt | data/1K/1KJ8-GAR/1KJ8-GAR_target.pdbqt | data/1K/1KJ8-GAR/1KJ8-GAR_decoys.pdbqt | data/1K/1KJ8-GAR/1KJ8-GAR_decoy_scores.csv |
1KQN-NAD | data/1K/1KQN-NAD/1KQN-NAD_ligand.pdbqt | data/1K/1KQN-NAD/1KQN-NAD_target.pdbqt | null | null |
1KW0-H4B | data/1K/1KW0-H4B/1KW0-H4B_ligand.pdbqt | data/1K/1KW0-H4B/1KW0-H4B_target.pdbqt | data/1K/1KW0-H4B/1KW0-H4B_decoys.pdbqt | data/1K/1KW0-H4B/1KW0-H4B_decoy_scores.csv |
1KWK-GAL | data/1K/1KWK-GAL/1KWK-GAL_ligand.pdbqt | data/1K/1KWK-GAL/1KWK-GAL_target.pdbqt | data/1K/1KWK-GAL/1KWK-GAL_decoys.pdbqt | data/1K/1KWK-GAL/1KWK-GAL_decoy_scores.csv |
1K6V-XN2 | data/1K/1K6V-XN2/1K6V-XN2_ligand.pdbqt | data/1K/1K6V-XN2/1K6V-XN2_target.pdbqt | data/1K/1K6V-XN2/1K6V-XN2_decoys.pdbqt | data/1K/1K6V-XN2/1K6V-XN2_decoy_scores.csv |
1KTS-C24 | data/1K/1KTS-C24/1KTS-C24_ligand.pdbqt | data/1K/1KTS-C24/1KTS-C24_target.pdbqt | data/1K/1KTS-C24/1KTS-C24_decoys.pdbqt | data/1K/1KTS-C24/1KTS-C24_decoy_scores.csv |
1KVU-UPG | data/1K/1KVU-UPG/1KVU-UPG_ligand.pdbqt | data/1K/1KVU-UPG/1KVU-UPG_target.pdbqt | data/1K/1KVU-UPG/1KVU-UPG_decoys.pdbqt | data/1K/1KVU-UPG/1KVU-UPG_decoy_scores.csv |
1KW8-BPY | data/1K/1KW8-BPY/1KW8-BPY_ligand.pdbqt | data/1K/1KW8-BPY/1KW8-BPY_target.pdbqt | data/1K/1KW8-BPY/1KW8-BPY_decoys.pdbqt | data/1K/1KW8-BPY/1KW8-BPY_decoy_scores.csv |
1KDO-C | data/1K/1KDO-C/1KDO-C_ligand.pdbqt | data/1K/1KDO-C/1KDO-C_target.pdbqt | data/1K/1KDO-C/1KDO-C_decoys.pdbqt | data/1K/1KDO-C/1KDO-C_decoy_scores.csv |
1KH2-ATP | data/1K/1KH2-ATP/1KH2-ATP_ligand.pdbqt | data/1K/1KH2-ATP/1KH2-ATP_target.pdbqt | data/1K/1KH2-ATP/1KH2-ATP_decoys.pdbqt | data/1K/1KH2-ATP/1KH2-ATP_decoy_scores.csv |
1KRM-PRH | data/1K/1KRM-PRH/1KRM-PRH_ligand.pdbqt | data/1K/1KRM-PRH/1KRM-PRH_target.pdbqt | data/1K/1KRM-PRH/1KRM-PRH_decoys.pdbqt | data/1K/1KRM-PRH/1KRM-PRH_decoy_scores.csv |
1KFE-PLS | data/1K/1KFE-PLS/1KFE-PLS_ligand.pdbqt | data/1K/1KFE-PLS/1KFE-PLS_target.pdbqt | data/1K/1KFE-PLS/1KFE-PLS_decoys.pdbqt | data/1K/1KFE-PLS/1KFE-PLS_decoy_scores.csv |
1KCE-CB3 | data/1K/1KCE-CB3/1KCE-CB3_ligand.pdbqt | data/1K/1KCE-CB3/1KCE-CB3_target.pdbqt | data/1K/1KCE-CB3/1KCE-CB3_decoys.pdbqt | data/1K/1KCE-CB3/1KCE-CB3_decoy_scores.csv |
1KF0-ACP | data/1K/1KF0-ACP/1KF0-ACP_ligand.pdbqt | data/1K/1KF0-ACP/1KF0-ACP_target.pdbqt | data/1K/1KF0-ACP/1KF0-ACP_decoys.pdbqt | data/1K/1KF0-ACP/1KF0-ACP_decoy_scores.csv |
1KMP-LDA | data/1K/1KMP-LDA/1KMP-LDA_ligand.pdbqt | data/1K/1KMP-LDA/1KMP-LDA_target.pdbqt | data/1K/1KMP-LDA/1KMP-LDA_decoys.pdbqt | data/1K/1KMP-LDA/1KMP-LDA_decoy_scores.csv |
1KYV-RBF | data/1K/1KYV-RBF/1KYV-RBF_ligand.pdbqt | data/1K/1KYV-RBF/1KYV-RBF_target.pdbqt | data/1K/1KYV-RBF/1KYV-RBF_decoys.pdbqt | data/1K/1KYV-RBF/1KYV-RBF_decoy_scores.csv |
1K0E-TRP | data/1K/1K0E-TRP/1K0E-TRP_ligand.pdbqt | data/1K/1K0E-TRP/1K0E-TRP_target.pdbqt | data/1K/1K0E-TRP/1K0E-TRP_decoys.pdbqt | data/1K/1K0E-TRP/1K0E-TRP_decoy_scores.csv |
1K3Y-GTX | data/1K/1K3Y-GTX/1K3Y-GTX_ligand.pdbqt | data/1K/1K3Y-GTX/1K3Y-GTX_target.pdbqt | data/1K/1K3Y-GTX/1K3Y-GTX_decoys.pdbqt | data/1K/1K3Y-GTX/1K3Y-GTX_decoy_scores.csv |
1KDP-C | data/1K/1KDP-C/1KDP-C_ligand.pdbqt | data/1K/1KDP-C/1KDP-C_target.pdbqt | data/1K/1KDP-C/1KDP-C_decoys.pdbqt | data/1K/1KDP-C/1KDP-C_decoy_scores.csv |
1K54-HOQ | data/1K/1K54-HOQ/1K54-HOQ_ligand.pdbqt | data/1K/1K54-HOQ/1K54-HOQ_target.pdbqt | data/1K/1K54-HOQ/1K54-HOQ_decoys.pdbqt | data/1K/1K54-HOQ/1K54-HOQ_decoy_scores.csv |
1KGJ-FL8 | data/1K/1KGJ-FL8/1KGJ-FL8_ligand.pdbqt | data/1K/1KGJ-FL8/1KGJ-FL8_target.pdbqt | data/1K/1KGJ-FL8/1KGJ-FL8_decoys.pdbqt | data/1K/1KGJ-FL8/1KGJ-FL8_decoy_scores.csv |
1K12-FUC | data/1K/1K12-FUC/1K12-FUC_ligand.pdbqt | data/1K/1K12-FUC/1K12-FUC_target.pdbqt | data/1K/1K12-FUC/1K12-FUC_decoys.pdbqt | data/1K/1K12-FUC/1K12-FUC_decoy_scores.csv |
1KEW-TYD | data/1K/1KEW-TYD/1KEW-TYD_ligand.pdbqt | data/1K/1KEW-TYD/1KEW-TYD_target.pdbqt | data/1K/1KEW-TYD/1KEW-TYD_decoys.pdbqt | data/1K/1KEW-TYD/1KEW-TYD_decoy_scores.csv |
1KVT-NAD | data/1K/1KVT-NAD/1KVT-NAD_ligand.pdbqt | data/1K/1KVT-NAD/1KVT-NAD_target.pdbqt | data/1K/1KVT-NAD/1KVT-NAD_decoys.pdbqt | data/1K/1KVT-NAD/1KVT-NAD_decoy_scores.csv |
1KM4-U | data/1K/1KM4-U/1KM4-U_ligand.pdbqt | data/1K/1KM4-U/1KM4-U_target.pdbqt | data/1K/1KM4-U/1KM4-U_decoys.pdbqt | data/1K/1KM4-U/1KM4-U_decoy_scores.csv |
1KT3-RTL | data/1K/1KT3-RTL/1KT3-RTL_ligand.pdbqt | data/1K/1KT3-RTL/1KT3-RTL_target.pdbqt | data/1K/1KT3-RTL/1KT3-RTL_decoys.pdbqt | data/1K/1KT3-RTL/1KT3-RTL_decoy_scores.csv |
1KTT-C02 | data/1K/1KTT-C02/1KTT-C02_ligand.pdbqt | data/1K/1KTT-C02/1KTT-C02_target.pdbqt | data/1K/1KTT-C02/1KTT-C02_decoys.pdbqt | data/1K/1KTT-C02/1KTT-C02_decoy_scores.csv |
1KWU-MMA | data/1K/1KWU-MMA/1KWU-MMA_ligand.pdbqt | data/1K/1KWU-MMA/1KWU-MMA_target.pdbqt | data/1K/1KWU-MMA/1KWU-MMA_decoys.pdbqt | data/1K/1KWU-MMA/1KWU-MMA_decoy_scores.csv |
1KFB-IGP | data/1K/1KFB-IGP/1KFB-IGP_ligand.pdbqt | data/1K/1KFB-IGP/1KFB-IGP_target.pdbqt | data/1K/1KFB-IGP/1KFB-IGP_decoys.pdbqt | data/1K/1KFB-IGP/1KFB-IGP_decoy_scores.csv |
1KWW-MFU | data/1K/1KWW-MFU/1KWW-MFU_ligand.pdbqt | data/1K/1KWW-MFU/1KWW-MFU_target.pdbqt | data/1K/1KWW-MFU/1KWW-MFU_decoys.pdbqt | data/1K/1KWW-MFU/1KWW-MFU_decoy_scores.csv |
1KQW-RTL | data/1K/1KQW-RTL/1KQW-RTL_ligand.pdbqt | data/1K/1KQW-RTL/1KQW-RTL_target.pdbqt | data/1K/1KQW-RTL/1KQW-RTL_decoys.pdbqt | data/1K/1KQW-RTL/1KQW-RTL_decoy_scores.csv |
1KL6-PHQ | data/1K/1KL6-PHQ/1KL6-PHQ_ligand.pdbqt | data/1K/1KL6-PHQ/1KL6-PHQ_target.pdbqt | data/1K/1KL6-PHQ/1KL6-PHQ_decoys.pdbqt | data/1K/1KL6-PHQ/1KL6-PHQ_decoy_scores.csv |
1K6P-XN3 | data/1K/1K6P-XN3/1K6P-XN3_ligand.pdbqt | data/1K/1K6P-XN3/1K6P-XN3_target.pdbqt | data/1K/1K6P-XN3/1K6P-XN3_decoys.pdbqt | data/1K/1K6P-XN3/1K6P-XN3_decoy_scores.csv |
1KBC-RIN | data/1K/1KBC-RIN/1KBC-RIN_ligand.pdbqt | data/1K/1KBC-RIN/1KBC-RIN_target.pdbqt | data/1K/1KBC-RIN/1KBC-RIN_decoys.pdbqt | data/1K/1KBC-RIN/1KBC-RIN_decoy_scores.csv |
1KPH-SAH | data/1K/1KPH-SAH/1KPH-SAH_ligand.pdbqt | data/1K/1KPH-SAH/1KPH-SAH_target.pdbqt | data/1K/1KPH-SAH/1KPH-SAH_decoys.pdbqt | data/1K/1KPH-SAH/1KPH-SAH_decoy_scores.csv |
1KJP-PHQ | data/1K/1KJP-PHQ/1KJP-PHQ_ligand.pdbqt | data/1K/1KJP-PHQ/1KJP-PHQ_target.pdbqt | data/1K/1KJP-PHQ/1KJP-PHQ_decoys.pdbqt | data/1K/1KJP-PHQ/1KJP-PHQ_decoy_scores.csv |
1K6T-XN1 | data/1K/1K6T-XN1/1K6T-XN1_ligand.pdbqt | data/1K/1K6T-XN1/1K6T-XN1_target.pdbqt | data/1K/1K6T-XN1/1K6T-XN1_decoys.pdbqt | data/1K/1K6T-XN1/1K6T-XN1_decoy_scores.csv |
1KZO-FAR | data/1K/1KZO-FAR/1KZO-FAR_ligand.pdbqt | data/1K/1KZO-FAR/1KZO-FAR_target.pdbqt | data/1K/1KZO-FAR/1KZO-FAR_decoys.pdbqt | data/1K/1KZO-FAR/1KZO-FAR_decoy_scores.csv |
1KWC-BPY | data/1K/1KWC-BPY/1KWC-BPY_ligand.pdbqt | data/1K/1KWC-BPY/1KWC-BPY_target.pdbqt | data/1K/1KWC-BPY/1KWC-BPY_decoys.pdbqt | data/1K/1KWC-BPY/1KWC-BPY_decoy_scores.csv |
1KK1-GNP | data/1K/1KK1-GNP/1KK1-GNP_ligand.pdbqt | data/1K/1KK1-GNP/1KK1-GNP_target.pdbqt | data/1K/1KK1-GNP/1KK1-GNP_decoys.pdbqt | data/1K/1KK1-GNP/1KK1-GNP_decoy_scores.csv |
1KMS-LIH | data/1K/1KMS-LIH/1KMS-LIH_ligand.pdbqt | data/1K/1KMS-LIH/1KMS-LIH_target.pdbqt | data/1K/1KMS-LIH/1KMS-LIH_decoys.pdbqt | data/1K/1KMS-LIH/1KMS-LIH_decoy_scores.csv |
1K7D-GRO | data/1K/1K7D-GRO/1K7D-GRO_ligand.pdbqt | data/1K/1K7D-GRO/1K7D-GRO_target.pdbqt | data/1K/1K7D-GRO/1K7D-GRO_decoys.pdbqt | data/1K/1K7D-GRO/1K7D-GRO_decoy_scores.csv |
1KW9-BPY | data/1K/1KW9-BPY/1KW9-BPY_ligand.pdbqt | data/1K/1KW9-BPY/1KW9-BPY_target.pdbqt | data/1K/1KW9-BPY/1KW9-BPY_decoys.pdbqt | data/1K/1KW9-BPY/1KW9-BPY_decoy_scores.csv |
1KEP-NAD | data/1K/1KEP-NAD/1KEP-NAD_ligand.pdbqt | data/1K/1KEP-NAD/1KEP-NAD_target.pdbqt | data/1K/1KEP-NAD/1KEP-NAD_decoys.pdbqt | data/1K/1KEP-NAD/1KEP-NAD_decoy_scores.csv |
1KSG-GTP | data/1K/1KSG-GTP/1KSG-GTP_ligand.pdbqt | data/1K/1KSG-GTP/1KSG-GTP_target.pdbqt | data/1K/1KSG-GTP/1KSG-GTP_decoys.pdbqt | data/1K/1KSG-GTP/1KSG-GTP_decoy_scores.csv |
1KVQ-UPG | data/1K/1KVQ-UPG/1KVQ-UPG_ligand.pdbqt | data/1K/1KVQ-UPG/1KVQ-UPG_target.pdbqt | data/1K/1KVQ-UPG/1KVQ-UPG_decoys.pdbqt | data/1K/1KVQ-UPG/1KVQ-UPG_decoy_scores.csv |
1KOR-ANP | data/1K/1KOR-ANP/1KOR-ANP_ligand.pdbqt | data/1K/1KOR-ANP/1KOR-ANP_target.pdbqt | data/1K/1KOR-ANP/1KOR-ANP_decoys.pdbqt | data/1K/1KOR-ANP/1KOR-ANP_decoy_scores.csv |
1KAE-HSO | data/1K/1KAE-HSO/1KAE-HSO_ligand.pdbqt | data/1K/1KAE-HSO/1KAE-HSO_target.pdbqt | data/1K/1KAE-HSO/1KAE-HSO_decoys.pdbqt | data/1K/1KAE-HSO/1KAE-HSO_decoy_scores.csv |
1KJO-PHQ | data/1K/1KJO-PHQ/1KJO-PHQ_ligand.pdbqt | data/1K/1KJO-PHQ/1KJO-PHQ_target.pdbqt | data/1K/1KJO-PHQ/1KJO-PHQ_decoys.pdbqt | data/1K/1KJO-PHQ/1KJO-PHQ_decoy_scores.csv |
1KAV-FEP | data/1K/1KAV-FEP/1KAV-FEP_ligand.pdbqt | data/1K/1KAV-FEP/1KAV-FEP_target.pdbqt | data/1K/1KAV-FEP/1KAV-FEP_decoys.pdbqt | data/1K/1KAV-FEP/1KAV-FEP_decoy_scores.csv |
1KCD-GTR | data/1K/1KCD-GTR/1KCD-GTR_ligand.pdbqt | data/1K/1KCD-GTR/1KCD-GTR_target.pdbqt | data/1K/1KCD-GTR/1KCD-GTR_decoys.pdbqt | data/1K/1KCD-GTR/1KCD-GTR_decoy_scores.csv |
1K6R-MX1 | data/1K/1K6R-MX1/1K6R-MX1_ligand.pdbqt | data/1K/1K6R-MX1/1K6R-MX1_target.pdbqt | data/1K/1K6R-MX1/1K6R-MX1_decoys.pdbqt | data/1K/1K6R-MX1/1K6R-MX1_decoy_scores.csv |
1KQR-MNA | data/1K/1KQR-MNA/1KQR-MNA_ligand.pdbqt | data/1K/1KQR-MNA/1KQR-MNA_target.pdbqt | data/1K/1KQR-MNA/1KQR-MNA_decoys.pdbqt | data/1K/1KQR-MNA/1KQR-MNA_decoy_scores.csv |
1K0C-GTB | data/1K/1K0C-GTB/1K0C-GTB_ligand.pdbqt | data/1K/1K0C-GTB/1K0C-GTB_target.pdbqt | data/1K/1K0C-GTB/1K0C-GTB_decoys.pdbqt | data/1K/1K0C-GTB/1K0C-GTB_decoy_scores.csv |
1KHB-GCP | data/1K/1KHB-GCP/1KHB-GCP_ligand.pdbqt | data/1K/1KHB-GCP/1KHB-GCP_target.pdbqt | data/1K/1KHB-GCP/1KHB-GCP_decoys.pdbqt | data/1K/1KHB-GCP/1KHB-GCP_decoy_scores.csv |
1K6X-NAD | data/1K/1K6X-NAD/1K6X-NAD_ligand.pdbqt | data/1K/1K6X-NAD/1K6X-NAD_target.pdbqt | data/1K/1K6X-NAD/1K6X-NAD_decoys.pdbqt | data/1K/1K6X-NAD/1K6X-NAD_decoy_scores.csv |
1KE6-LS2 | data/1K/1KE6-LS2/1KE6-LS2_ligand.pdbqt | data/1K/1KE6-LS2/1KE6-LS2_target.pdbqt | data/1K/1KE6-LS2/1KE6-LS2_decoys.pdbqt | data/1K/1KE6-LS2/1KE6-LS2_decoy_scores.csv |
1KWS-UGA | data/1K/1KWS-UGA/1KWS-UGA_ligand.pdbqt | data/1K/1KWS-UGA/1KWS-UGA_target.pdbqt | data/1K/1KWS-UGA/1KWS-UGA_decoys.pdbqt | data/1K/1KWS-UGA/1KWS-UGA_decoy_scores.csv |
1K9E-GCV | data/1K/1K9E-GCV/1K9E-GCV_ligand.pdbqt | data/1K/1K9E-GCV/1K9E-GCV_target.pdbqt | data/1K/1K9E-GCV/1K9E-GCV_decoys.pdbqt | data/1K/1K9E-GCV/1K9E-GCV_decoy_scores.csv |
1KR6-DGL | data/1K/1KR6-DGL/1KR6-DGL_ligand.pdbqt | data/1K/1KR6-DGL/1KR6-DGL_target.pdbqt | data/1K/1KR6-DGL/1KR6-DGL_decoys.pdbqt | data/1K/1KR6-DGL/1KR6-DGL_decoy_scores.csv |
1KV9-PQQ | data/1K/1KV9-PQQ/1KV9-PQQ_ligand.pdbqt | data/1K/1KV9-PQQ/1KV9-PQQ_target.pdbqt | data/1K/1KV9-PQQ/1KV9-PQQ_decoys.pdbqt | data/1K/1KV9-PQQ/1KV9-PQQ_decoy_scores.csv |
1KLT-PMS | data/1K/1KLT-PMS/1KLT-PMS_ligand.pdbqt | data/1K/1KLT-PMS/1KLT-PMS_target.pdbqt | data/1K/1KLT-PMS/1KLT-PMS_decoys.pdbqt | data/1K/1KLT-PMS/1KLT-PMS_decoy_scores.csv |
1K3A-ACP | data/1K/1K3A-ACP/1K3A-ACP_ligand.pdbqt | data/1K/1K3A-ACP/1K3A-ACP_target.pdbqt | data/1K/1K3A-ACP/1K3A-ACP_decoys.pdbqt | data/1K/1K3A-ACP/1K3A-ACP_decoy_scores.csv |
1KQO-DND | data/1K/1KQO-DND/1KQO-DND_ligand.pdbqt | data/1K/1KQO-DND/1KQO-DND_target.pdbqt | data/1K/1KQO-DND/1KQO-DND_decoys.pdbqt | data/1K/1KQO-DND/1KQO-DND_decoy_scores.csv |
1KG8-RET | data/1K/1KG8-RET/1KG8-RET_ligand.pdbqt | data/1K/1KG8-RET/1KG8-RET_target.pdbqt | data/1K/1KG8-RET/1KG8-RET_decoys.pdbqt | data/1K/1KG8-RET/1KG8-RET_decoy_scores.csv |
1KK8-ADP | data/1K/1KK8-ADP/1KK8-ADP_ligand.pdbqt | data/1K/1KK8-ADP/1KK8-ADP_target.pdbqt | null | null |
1KDM-DHT | data/1K/1KDM-DHT/1KDM-DHT_ligand.pdbqt | data/1K/1KDM-DHT/1KDM-DHT_target.pdbqt | data/1K/1KDM-DHT/1KDM-DHT_decoys.pdbqt | data/1K/1KDM-DHT/1KDM-DHT_decoy_scores.csv |
1KM2-UP6 | data/1K/1KM2-UP6/1KM2-UP6_ligand.pdbqt | data/1K/1KM2-UP6/1KM2-UP6_target.pdbqt | data/1K/1KM2-UP6/1KM2-UP6_decoys.pdbqt | data/1K/1KM2-UP6/1KM2-UP6_decoy_scores.csv |
1KJ9-ATP | data/1K/1KJ9-ATP/1KJ9-ATP_ligand.pdbqt | data/1K/1KJ9-ATP/1KJ9-ATP_target.pdbqt | data/1K/1KJ9-ATP/1KJ9-ATP_decoys.pdbqt | data/1K/1KJ9-ATP/1KJ9-ATP_decoy_scores.csv |
1K97-CIR | data/1K/1K97-CIR/1K97-CIR_ligand.pdbqt | data/1K/1K97-CIR/1K97-CIR_target.pdbqt | data/1K/1K97-CIR/1K97-CIR_decoys.pdbqt | data/1K/1K97-CIR/1K97-CIR_decoy_scores.csv |
1KB9-UQ6 | data/1K/1KB9-UQ6/1KB9-UQ6_ligand.pdbqt | data/1K/1KB9-UQ6/1KB9-UQ6_target.pdbqt | data/1K/1KB9-UQ6/1KB9-UQ6_decoys.pdbqt | data/1K/1KB9-UQ6/1KB9-UQ6_decoy_scores.csv |
1KYY-INI | data/1K/1KYY-INI/1KYY-INI_ligand.pdbqt | data/1K/1KYY-INI/1KYY-INI_target.pdbqt | data/1K/1KYY-INI/1KYY-INI_decoys.pdbqt | data/1K/1KYY-INI/1KYY-INI_decoy_scores.csv |
1K3T-BRZ | data/1K/1K3T-BRZ/1K3T-BRZ_ligand.pdbqt | data/1K/1K3T-BRZ/1K3T-BRZ_target.pdbqt | data/1K/1K3T-BRZ/1K3T-BRZ_decoys.pdbqt | data/1K/1K3T-BRZ/1K3T-BRZ_decoy_scores.csv |
1KWR-SG2 | data/1K/1KWR-SG2/1KWR-SG2_ligand.pdbqt | data/1K/1KWR-SG2/1KWR-SG2_target.pdbqt | data/1K/1KWR-SG2/1KWR-SG2_decoys.pdbqt | data/1K/1KWR-SG2/1KWR-SG2_decoy_scores.csv |
1KME-SQU | data/1K/1KME-SQU/1KME-SQU_ligand.pdbqt | data/1K/1KME-SQU/1KME-SQU_target.pdbqt | data/1K/1KME-SQU/1KME-SQU_decoys.pdbqt | data/1K/1KME-SQU/1KME-SQU_decoy_scores.csv |
1KVL-KCP | data/1K/1KVL-KCP/1KVL-KCP_ligand.pdbqt | data/1K/1KVL-KCP/1KVL-KCP_target.pdbqt | data/1K/1KVL-KCP/1KVL-KCP_decoys.pdbqt | data/1K/1KVL-KCP/1KVL-KCP_decoy_scores.csv |
1KTP-CYC | data/1K/1KTP-CYC/1KTP-CYC_ligand.pdbqt | data/1K/1KTP-CYC/1KTP-CYC_target.pdbqt | data/1K/1KTP-CYC/1KTP-CYC_decoys.pdbqt | data/1K/1KTP-CYC/1KTP-CYC_decoy_scores.csv |
1KI4-BTD | data/1K/1KI4-BTD/1KI4-BTD_ligand.pdbqt | data/1K/1KI4-BTD/1KI4-BTD_target.pdbqt | data/1K/1KI4-BTD/1KI4-BTD_decoys.pdbqt | data/1K/1KI4-BTD/1KI4-BTD_decoy_scores.csv |
1KM5-UP6 | data/1K/1KM5-UP6/1KM5-UP6_ligand.pdbqt | data/1K/1KM5-UP6/1KM5-UP6_target.pdbqt | data/1K/1KM5-UP6/1KM5-UP6_decoys.pdbqt | data/1K/1KM5-UP6/1KM5-UP6_decoy_scores.csv |
1KJQ-MPO | data/1K/1KJQ-MPO/1KJQ-MPO_ligand.pdbqt | data/1K/1KJQ-MPO/1KJQ-MPO_target.pdbqt | data/1K/1KJQ-MPO/1KJQ-MPO_decoys.pdbqt | data/1K/1KJQ-MPO/1KJQ-MPO_decoy_scores.csv |
1K0A-GTX | data/1K/1K0A-GTX/1K0A-GTX_ligand.pdbqt | data/1K/1K0A-GTX/1K0A-GTX_target.pdbqt | data/1K/1K0A-GTX/1K0A-GTX_decoys.pdbqt | data/1K/1K0A-GTX/1K0A-GTX_decoy_scores.csv |
1K2R-NRG | data/1K/1K2R-NRG/1K2R-NRG_ligand.pdbqt | data/1K/1K2R-NRG/1K2R-NRG_target.pdbqt | data/1K/1K2R-NRG/1K2R-NRG_decoys.pdbqt | data/1K/1K2R-NRG/1K2R-NRG_decoy_scores.csv |
1KTG-AMP | data/1K/1KTG-AMP/1KTG-AMP_ligand.pdbqt | data/1K/1KTG-AMP/1KTG-AMP_target.pdbqt | data/1K/1KTG-AMP/1KTG-AMP_decoys.pdbqt | data/1K/1KTG-AMP/1KTG-AMP_decoy_scores.csv |
1KT4-RTL | data/1K/1KT4-RTL/1KT4-RTL_ligand.pdbqt | data/1K/1KT4-RTL/1KT4-RTL_target.pdbqt | data/1K/1KT4-RTL/1KT4-RTL_decoys.pdbqt | data/1K/1KT4-RTL/1KT4-RTL_decoy_scores.csv |
1KZN-CBN | data/1K/1KZN-CBN/1KZN-CBN_ligand.pdbqt | data/1K/1KZN-CBN/1KZN-CBN_target.pdbqt | data/1K/1KZN-CBN/1KZN-CBN_decoys.pdbqt | data/1K/1KZN-CBN/1KZN-CBN_decoy_scores.csv |
1KBQ-936 | data/1K/1KBQ-936/1KBQ-936_ligand.pdbqt | data/1K/1KBQ-936/1KBQ-936_target.pdbqt | data/1K/1KBQ-936/1KBQ-936_decoys.pdbqt | data/1K/1KBQ-936/1KBQ-936_decoy_scores.csv |
1KHT-AMP | data/1K/1KHT-AMP/1KHT-AMP_ligand.pdbqt | data/1K/1KHT-AMP/1KHT-AMP_target.pdbqt | data/1K/1KHT-AMP/1KHT-AMP_decoys.pdbqt | data/1K/1KHT-AMP/1KHT-AMP_decoy_scores.csv |
1KC7-PPR | data/1K/1KC7-PPR/1KC7-PPR_ligand.pdbqt | data/1K/1KC7-PPR/1KC7-PPR_target.pdbqt | data/1K/1KC7-PPR/1KC7-PPR_decoys.pdbqt | data/1K/1KC7-PPR/1KC7-PPR_decoy_scores.csv |
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