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 ⌀ |
|---|---|---|---|---|
2C94-TSF | data/2C/2C94-TSF/2C94-TSF_ligand.pdbqt | data/2C/2C94-TSF/2C94-TSF_target.pdbqt | data/2C/2C94-TSF/2C94-TSF_decoys.pdbqt | data/2C/2C94-TSF/2C94-TSF_decoy_scores.csv |
2C31-TZD | data/2C/2C31-TZD/2C31-TZD_ligand.pdbqt | data/2C/2C31-TZD/2C31-TZD_target.pdbqt | data/2C/2C31-TZD/2C31-TZD_decoys.pdbqt | data/2C/2C31-TZD/2C31-TZD_decoy_scores.csv |
2CFU-1DB | data/2C/2CFU-1DB/2CFU-1DB_ligand.pdbqt | data/2C/2CFU-1DB/2CFU-1DB_target.pdbqt | data/2C/2CFU-1DB/2CFU-1DB_decoys.pdbqt | data/2C/2CFU-1DB/2CFU-1DB_decoy_scores.csv |
2C69-CT8 | data/2C/2C69-CT8/2C69-CT8_ligand.pdbqt | data/2C/2C69-CT8/2C69-CT8_target.pdbqt | data/2C/2C69-CT8/2C69-CT8_decoys.pdbqt | data/2C/2C69-CT8/2C69-CT8_decoy_scores.csv |
2CSN-CKI | data/2C/2CSN-CKI/2CSN-CKI_ligand.pdbqt | data/2C/2CSN-CKI/2CSN-CKI_target.pdbqt | data/2C/2CSN-CKI/2CSN-CKI_decoys.pdbqt | data/2C/2CSN-CKI/2CSN-CKI_decoy_scores.csv |
2C9O-ADP | data/2C/2C9O-ADP/2C9O-ADP_ligand.pdbqt | data/2C/2C9O-ADP/2C9O-ADP_target.pdbqt | data/2C/2C9O-ADP/2C9O-ADP_decoys.pdbqt | data/2C/2C9O-ADP/2C9O-ADP_decoy_scores.csv |
2CHG-ANP | data/2C/2CHG-ANP/2CHG-ANP_ligand.pdbqt | data/2C/2CHG-ANP/2CHG-ANP_target.pdbqt | data/2C/2CHG-ANP/2CHG-ANP_decoys.pdbqt | data/2C/2CHG-ANP/2CHG-ANP_decoy_scores.csv |
2CC8-RBF | data/2C/2CC8-RBF/2CC8-RBF_ligand.pdbqt | data/2C/2CC8-RBF/2CC8-RBF_target.pdbqt | data/2C/2CC8-RBF/2CC8-RBF_decoys.pdbqt | data/2C/2CC8-RBF/2CC8-RBF_decoy_scores.csv |
2C5A-NAD | data/2C/2C5A-NAD/2C5A-NAD_ligand.pdbqt | data/2C/2C5A-NAD/2C5A-NAD_target.pdbqt | data/2C/2C5A-NAD/2C5A-NAD_decoys.pdbqt | data/2C/2C5A-NAD/2C5A-NAD_decoy_scores.csv |
2C27-MA8 | data/2C/2C27-MA8/2C27-MA8_ligand.pdbqt | data/2C/2C27-MA8/2C27-MA8_target.pdbqt | data/2C/2C27-MA8/2C27-MA8_decoys.pdbqt | data/2C/2C27-MA8/2C27-MA8_decoy_scores.csv |
2C3U-2TP | data/2C/2C3U-2TP/2C3U-2TP_ligand.pdbqt | data/2C/2C3U-2TP/2C3U-2TP_target.pdbqt | data/2C/2C3U-2TP/2C3U-2TP_decoys.pdbqt | data/2C/2C3U-2TP/2C3U-2TP_decoy_scores.csv |
2CU0-XMP | data/2C/2CU0-XMP/2CU0-XMP_ligand.pdbqt | data/2C/2CU0-XMP/2CU0-XMP_target.pdbqt | data/2C/2CU0-XMP/2CU0-XMP_decoys.pdbqt | data/2C/2CU0-XMP/2CU0-XMP_decoy_scores.csv |
2CCT-2E1 | data/2C/2CCT-2E1/2CCT-2E1_ligand.pdbqt | data/2C/2CCT-2E1/2CCT-2E1_target.pdbqt | data/2C/2CCT-2E1/2CCT-2E1_decoys.pdbqt | data/2C/2CCT-2E1/2CCT-2E1_decoy_scores.csv |
2CXS-F6P | data/2C/2CXS-F6P/2CXS-F6P_ligand.pdbqt | data/2C/2CXS-F6P/2CXS-F6P_target.pdbqt | data/2C/2CXS-F6P/2CXS-F6P_decoys.pdbqt | data/2C/2CXS-F6P/2CXS-F6P_decoy_scores.csv |
2CLH-F19 | data/2C/2CLH-F19/2CLH-F19_ligand.pdbqt | data/2C/2CLH-F19/2CLH-F19_target.pdbqt | data/2C/2CLH-F19/2CLH-F19_decoys.pdbqt | data/2C/2CLH-F19/2CLH-F19_decoy_scores.csv |
2CDZ-23D | data/2C/2CDZ-23D/2CDZ-23D_ligand.pdbqt | data/2C/2CDZ-23D/2CDZ-23D_target.pdbqt | data/2C/2CDZ-23D/2CDZ-23D_decoys.pdbqt | data/2C/2CDZ-23D/2CDZ-23D_decoy_scores.csv |
2C6Z-CIR | data/2C/2C6Z-CIR/2C6Z-CIR_ligand.pdbqt | data/2C/2C6Z-CIR/2C6Z-CIR_target.pdbqt | data/2C/2C6Z-CIR/2C6Z-CIR_decoys.pdbqt | data/2C/2C6Z-CIR/2C6Z-CIR_decoy_scores.csv |
2CGW-3C3 | data/2C/2CGW-3C3/2CGW-3C3_ligand.pdbqt | data/2C/2CGW-3C3/2CGW-3C3_target.pdbqt | data/2C/2CGW-3C3/2CGW-3C3_decoys.pdbqt | data/2C/2CGW-3C3/2CGW-3C3_decoy_scores.csv |
2CJZ-PTR | data/2C/2CJZ-PTR/2CJZ-PTR_ligand.pdbqt | data/2C/2CJZ-PTR/2CJZ-PTR_target.pdbqt | data/2C/2CJZ-PTR/2CJZ-PTR_decoys.pdbqt | data/2C/2CJZ-PTR/2CJZ-PTR_decoy_scores.csv |
2CNF-F32 | data/2C/2CNF-F32/2CNF-F32_ligand.pdbqt | data/2C/2CNF-F32/2CNF-F32_target.pdbqt | data/2C/2CNF-F32/2CNF-F32_decoys.pdbqt | data/2C/2CNF-F32/2CNF-F32_decoy_scores.csv |
2C53-DUR | data/2C/2C53-DUR/2C53-DUR_ligand.pdbqt | data/2C/2C53-DUR/2C53-DUR_target.pdbqt | data/2C/2C53-DUR/2C53-DUR_decoys.pdbqt | data/2C/2C53-DUR/2C53-DUR_decoy_scores.csv |
2CN5-ADP | data/2C/2CN5-ADP/2CN5-ADP_ligand.pdbqt | data/2C/2CN5-ADP/2CN5-ADP_target.pdbqt | data/2C/2CN5-ADP/2CN5-ADP_decoys.pdbqt | data/2C/2CN5-ADP/2CN5-ADP_decoy_scores.csv |
2C5S-AMP | data/2C/2C5S-AMP/2C5S-AMP_ligand.pdbqt | data/2C/2C5S-AMP/2C5S-AMP_target.pdbqt | data/2C/2C5S-AMP/2C5S-AMP_decoys.pdbqt | data/2C/2C5S-AMP/2C5S-AMP_decoy_scores.csv |
2CFO-GLU | data/2C/2CFO-GLU/2CFO-GLU_ligand.pdbqt | data/2C/2CFO-GLU/2CFO-GLU_target.pdbqt | data/2C/2CFO-GLU/2CFO-GLU_decoys.pdbqt | data/2C/2CFO-GLU/2CFO-GLU_decoy_scores.csv |
2CZE-U5P | data/2C/2CZE-U5P/2CZE-U5P_ligand.pdbqt | data/2C/2CZE-U5P/2CZE-U5P_target.pdbqt | data/2C/2CZE-U5P/2CZE-U5P_decoys.pdbqt | data/2C/2CZE-U5P/2CZE-U5P_decoy_scores.csv |
2CXO-DER | data/2C/2CXO-DER/2CXO-DER_ligand.pdbqt | data/2C/2CXO-DER/2CXO-DER_target.pdbqt | data/2C/2CXO-DER/2CXO-DER_decoys.pdbqt | data/2C/2CXO-DER/2CXO-DER_decoy_scores.csv |
2C92-TP6 | data/2C/2C92-TP6/2C92-TP6_ligand.pdbqt | data/2C/2C92-TP6/2C92-TP6_target.pdbqt | data/2C/2C92-TP6/2C92-TP6_decoys.pdbqt | data/2C/2C92-TP6/2C92-TP6_decoy_scores.csv |
2C73-RSA | data/2C/2C73-RSA/2C73-RSA_ligand.pdbqt | data/2C/2C73-RSA/2C73-RSA_target.pdbqt | data/2C/2C73-RSA/2C73-RSA_decoys.pdbqt | data/2C/2C73-RSA/2C73-RSA_decoy_scores.csv |
2CXV-BBL | data/2C/2CXV-BBL/2CXV-BBL_ligand.pdbqt | data/2C/2CXV-BBL/2CXV-BBL_target.pdbqt | data/2C/2CXV-BBL/2CXV-BBL_decoys.pdbqt | data/2C/2CXV-BBL/2CXV-BBL_decoy_scores.csv |
2C01-ATP | data/2C/2C01-ATP/2C01-ATP_ligand.pdbqt | data/2C/2C01-ATP/2C01-ATP_target.pdbqt | data/2C/2C01-ATP/2C01-ATP_decoys.pdbqt | data/2C/2C01-ATP/2C01-ATP_decoy_scores.csv |
2C6H-PXI | data/2C/2C6H-PXI/2C6H-PXI_ligand.pdbqt | data/2C/2C6H-PXI/2C6H-PXI_target.pdbqt | data/2C/2C6H-PXI/2C6H-PXI_decoys.pdbqt | data/2C/2C6H-PXI/2C6H-PXI_decoy_scores.csv |
2CEN-4AH | data/2C/2CEN-4AH/2CEN-4AH_ligand.pdbqt | data/2C/2CEN-4AH/2CEN-4AH_target.pdbqt | data/2C/2CEN-4AH/2CEN-4AH_decoys.pdbqt | data/2C/2CEN-4AH/2CEN-4AH_decoy_scores.csv |
2C67-RM1 | data/2C/2C67-RM1/2C67-RM1_ligand.pdbqt | data/2C/2C67-RM1/2C67-RM1_target.pdbqt | data/2C/2C67-RM1/2C67-RM1_decoys.pdbqt | data/2C/2C67-RM1/2C67-RM1_decoy_scores.csv |
2CNQ-ADP | data/2C/2CNQ-ADP/2CNQ-ADP_ligand.pdbqt | data/2C/2CNQ-ADP/2CNQ-ADP_target.pdbqt | data/2C/2CNQ-ADP/2CNQ-ADP_decoys.pdbqt | data/2C/2CNQ-ADP/2CNQ-ADP_decoy_scores.csv |
2CLK-G3H | data/2C/2CLK-G3H/2CLK-G3H_ligand.pdbqt | data/2C/2CLK-G3H/2CLK-G3H_target.pdbqt | data/2C/2CLK-G3H/2CLK-G3H_decoys.pdbqt | data/2C/2CLK-G3H/2CLK-G3H_decoy_scores.csv |
2CXX-GDP | data/2C/2CXX-GDP/2CXX-GDP_ligand.pdbqt | data/2C/2CXX-GDP/2CXX-GDP_target.pdbqt | data/2C/2CXX-GDP/2CXX-GDP_decoys.pdbqt | data/2C/2CXX-GDP/2CXX-GDP_decoy_scores.csv |
2CC6-LUM | data/2C/2CC6-LUM/2CC6-LUM_ligand.pdbqt | data/2C/2CC6-LUM/2CC6-LUM_target.pdbqt | data/2C/2CC6-LUM/2CC6-LUM_decoys.pdbqt | data/2C/2CC6-LUM/2CC6-LUM_decoy_scores.csv |
2CGJ-ADP | data/2C/2CGJ-ADP/2CGJ-ADP_ligand.pdbqt | data/2C/2CGJ-ADP/2CGJ-ADP_target.pdbqt | data/2C/2CGJ-ADP/2CGJ-ADP_decoys.pdbqt | data/2C/2CGJ-ADP/2CGJ-ADP_decoy_scores.csv |
2CGL-ADP | data/2C/2CGL-ADP/2CGL-ADP_ligand.pdbqt | data/2C/2CGL-ADP/2CGL-ADP_target.pdbqt | data/2C/2CGL-ADP/2CGL-ADP_decoys.pdbqt | data/2C/2CGL-ADP/2CGL-ADP_decoy_scores.csv |
2CIS-TA6 | data/2C/2CIS-TA6/2CIS-TA6_ligand.pdbqt | data/2C/2CIS-TA6/2CIS-TA6_target.pdbqt | null | null |
2CYC-TYR | data/2C/2CYC-TYR/2CYC-TYR_ligand.pdbqt | data/2C/2CYC-TYR/2CYC-TYR_target.pdbqt | data/2C/2CYC-TYR/2CYC-TYR_decoys.pdbqt | data/2C/2CYC-TYR/2CYC-TYR_decoy_scores.csv |
2C96-ATP | data/2C/2C96-ATP/2C96-ATP_ligand.pdbqt | data/2C/2C96-ATP/2C96-ATP_target.pdbqt | data/2C/2C96-ATP/2C96-ATP_decoys.pdbqt | data/2C/2C96-ATP/2C96-ATP_decoy_scores.csv |
2C02-ADP | data/2C/2C02-ADP/2C02-ADP_ligand.pdbqt | data/2C/2C02-ADP/2C02-ADP_target.pdbqt | data/2C/2C02-ADP/2C02-ADP_decoys.pdbqt | data/2C/2C02-ADP/2C02-ADP_decoy_scores.csv |
2C4F-FUC | data/2C/2C4F-FUC/2C4F-FUC_ligand.pdbqt | data/2C/2C4F-FUC/2C4F-FUC_target.pdbqt | data/2C/2C4F-FUC/2C4F-FUC_decoys.pdbqt | data/2C/2C4F-FUC/2C4F-FUC_decoy_scores.csv |
2CVW-TTP | data/2C/2CVW-TTP/2CVW-TTP_ligand.pdbqt | data/2C/2CVW-TTP/2CVW-TTP_target.pdbqt | data/2C/2CVW-TTP/2CVW-TTP_decoys.pdbqt | data/2C/2CVW-TTP/2CVW-TTP_decoy_scores.csv |
2CHT-TSA | data/2C/2CHT-TSA/2CHT-TSA_ligand.pdbqt | data/2C/2CHT-TSA/2CHT-TSA_target.pdbqt | data/2C/2CHT-TSA/2CHT-TSA_decoys.pdbqt | data/2C/2CHT-TSA/2CHT-TSA_decoy_scores.csv |
2C5B-5F1 | data/2C/2C5B-5F1/2C5B-5F1_ligand.pdbqt | data/2C/2C5B-5F1/2C5B-5F1_target.pdbqt | data/2C/2C5B-5F1/2C5B-5F1_decoys.pdbqt | data/2C/2C5B-5F1/2C5B-5F1_decoy_scores.csv |
2CL7-GTP | data/2C/2CL7-GTP/2CL7-GTP_ligand.pdbqt | data/2C/2CL7-GTP/2CL7-GTP_target.pdbqt | data/2C/2CL7-GTP/2CL7-GTP_decoys.pdbqt | data/2C/2CL7-GTP/2CL7-GTP_decoy_scores.csv |
2C47-5ID | data/2C/2C47-5ID/2C47-5ID_ligand.pdbqt | data/2C/2C47-5ID/2C47-5ID_target.pdbqt | data/2C/2C47-5ID/2C47-5ID_decoys.pdbqt | data/2C/2C47-5ID/2C47-5ID_decoy_scores.csv |
2CLS-GTP | data/2C/2CLS-GTP/2CLS-GTP_ligand.pdbqt | data/2C/2CLS-GTP/2CLS-GTP_target.pdbqt | data/2C/2CLS-GTP/2CLS-GTP_decoys.pdbqt | data/2C/2CLS-GTP/2CLS-GTP_decoy_scores.csv |
2C1A-I5S | data/2C/2C1A-I5S/2C1A-I5S_ligand.pdbqt | data/2C/2C1A-I5S/2C1A-I5S_target.pdbqt | data/2C/2C1A-I5S/2C1A-I5S_decoys.pdbqt | data/2C/2C1A-I5S/2C1A-I5S_decoy_scores.csv |
4G89-SAH | data/4G/4G89-SAH/4G89-SAH_ligand.pdbqt | data/4G/4G89-SAH/4G89-SAH_target.pdbqt | data/4G/4G89-SAH/4G89-SAH_decoys.pdbqt | data/4G/4G89-SAH/4G89-SAH_decoy_scores.csv |
4GD8-MXF | data/4G/4GD8-MXF/4GD8-MXF_ligand.pdbqt | data/4G/4GD8-MXF/4GD8-MXF_target.pdbqt | data/4G/4GD8-MXF/4GD8-MXF_decoys.pdbqt | data/4G/4GD8-MXF/4GD8-MXF_decoy_scores.csv |
4GKT-0O1 | data/4G/4GKT-0O1/4GKT-0O1_ligand.pdbqt | data/4G/4GKT-0O1/4GKT-0O1_target.pdbqt | data/4G/4GKT-0O1/4GKT-0O1_decoys.pdbqt | data/4G/4GKT-0O1/4GKT-0O1_decoy_scores.csv |
4G3J-VNT | data/4G/4G3J-VNT/4G3J-VNT_ligand.pdbqt | data/4G/4G3J-VNT/4G3J-VNT_target.pdbqt | data/4G/4G3J-VNT/4G3J-VNT_decoys.pdbqt | data/4G/4G3J-VNT/4G3J-VNT_decoy_scores.csv |
4GMX-K85 | data/4G/4GMX-K85/4GMX-K85_ligand.pdbqt | data/4G/4GMX-K85/4GMX-K85_target.pdbqt | data/4G/4GMX-K85/4GMX-K85_decoys.pdbqt | data/4G/4GMX-K85/4GMX-K85_decoy_scores.csv |
4G86-BNT | data/4G/4G86-BNT/4G86-BNT_ligand.pdbqt | data/4G/4G86-BNT/4G86-BNT_target.pdbqt | data/4G/4G86-BNT/4G86-BNT_decoys.pdbqt | data/4G/4G86-BNT/4G86-BNT_decoy_scores.csv |
4G7V-LDA | data/4G/4G7V-LDA/4G7V-LDA_ligand.pdbqt | data/4G/4G7V-LDA/4G7V-LDA_target.pdbqt | data/4G/4G7V-LDA/4G7V-LDA_decoys.pdbqt | data/4G/4G7V-LDA/4G7V-LDA_decoy_scores.csv |
4G6N-EK0 | data/4G/4G6N-EK0/4G6N-EK0_ligand.pdbqt | data/4G/4G6N-EK0/4G6N-EK0_target.pdbqt | data/4G/4G6N-EK0/4G6N-EK0_decoys.pdbqt | data/4G/4G6N-EK0/4G6N-EK0_decoy_scores.csv |
4GSY-0Y5 | data/4G/4GSY-0Y5/4GSY-0Y5_ligand.pdbqt | data/4G/4GSY-0Y5/4GSY-0Y5_target.pdbqt | data/4G/4GSY-0Y5/4GSY-0Y5_decoys.pdbqt | data/4G/4GSY-0Y5/4GSY-0Y5_decoy_scores.csv |
4GB9-0WR | data/4G/4GB9-0WR/4GB9-0WR_ligand.pdbqt | data/4G/4GB9-0WR/4GB9-0WR_target.pdbqt | data/4G/4GB9-0WR/4GB9-0WR_decoys.pdbqt | data/4G/4GB9-0WR/4GB9-0WR_decoy_scores.csv |
4GOG-IM2 | data/4G/4GOG-IM2/4GOG-IM2_ligand.pdbqt | data/4G/4GOG-IM2/4GOG-IM2_target.pdbqt | data/4G/4GOG-IM2/4GOG-IM2_decoys.pdbqt | data/4G/4GOG-IM2/4GOG-IM2_decoy_scores.csv |
4GMM-SPV | data/4G/4GMM-SPV/4GMM-SPV_ligand.pdbqt | data/4G/4GMM-SPV/4GMM-SPV_target.pdbqt | data/4G/4GMM-SPV/4GMM-SPV_decoys.pdbqt | data/4G/4GMM-SPV/4GMM-SPV_decoy_scores.csv |
4GHD-DHY | data/4G/4GHD-DHY/4GHD-DHY_ligand.pdbqt | data/4G/4GHD-DHY/4GHD-DHY_target.pdbqt | data/4G/4GHD-DHY/4GHD-DHY_decoys.pdbqt | data/4G/4GHD-DHY/4GHD-DHY_decoy_scores.csv |
4G28-0W8 | data/4G/4G28-0W8/4G28-0W8_ligand.pdbqt | data/4G/4G28-0W8/4G28-0W8_target.pdbqt | data/4G/4G28-0W8/4G28-0W8_decoys.pdbqt | data/4G/4G28-0W8/4G28-0W8_decoy_scores.csv |
4GMX-GNP | data/4G/4GMX-GNP/4GMX-GNP_ligand.pdbqt | data/4G/4GMX-GNP/4GMX-GNP_target.pdbqt | data/4G/4GMX-GNP/4GMX-GNP_decoys.pdbqt | data/4G/4GMX-GNP/4GMX-GNP_decoy_scores.csv |
4G61-P33 | data/4G/4G61-P33/4G61-P33_ligand.pdbqt | data/4G/4G61-P33/4G61-P33_target.pdbqt | data/4G/4G61-P33/4G61-P33_decoys.pdbqt | data/4G/4G61-P33/4G61-P33_decoy_scores.csv |
4GKH-KAN | data/4G/4GKH-KAN/4GKH-KAN_ligand.pdbqt | data/4G/4GKH-KAN/4GKH-KAN_target.pdbqt | data/4G/4GKH-KAN/4GKH-KAN_decoys.pdbqt | data/4G/4GKH-KAN/4GKH-KAN_decoy_scores.csv |
4GJ8-0LU | data/4G/4GJ8-0LU/4GJ8-0LU_ligand.pdbqt | data/4G/4GJ8-0LU/4GJ8-0LU_target.pdbqt | data/4G/4GJ8-0LU/4GJ8-0LU_decoys.pdbqt | data/4G/4GJ8-0LU/4GJ8-0LU_decoy_scores.csv |
4GTS-7TP | data/4G/4GTS-7TP/4GTS-7TP_ligand.pdbqt | data/4G/4GTS-7TP/4GTS-7TP_target.pdbqt | data/4G/4GTS-7TP/4GTS-7TP_decoys.pdbqt | data/4G/4GTS-7TP/4GTS-7TP_decoy_scores.csv |
4GH5-NAD | data/4G/4GH5-NAD/4GH5-NAD_ligand.pdbqt | data/4G/4GH5-NAD/4GH5-NAD_target.pdbqt | data/4G/4GH5-NAD/4GH5-NAD_decoys.pdbqt | data/4G/4GH5-NAD/4GH5-NAD_decoy_scores.csv |
4GKI-0JN | data/4G/4GKI-0JN/4GKI-0JN_ligand.pdbqt | data/4G/4GKI-0JN/4GKI-0JN_target.pdbqt | data/4G/4GKI-0JN/4GKI-0JN_decoys.pdbqt | data/4G/4GKI-0JN/4GKI-0JN_decoy_scores.csv |
4GE7-0K5 | data/4G/4GE7-0K5/4GE7-0K5_ligand.pdbqt | data/4G/4GE7-0K5/4GE7-0K5_target.pdbqt | data/4G/4GE7-0K5/4GE7-0K5_decoys.pdbqt | data/4G/4GE7-0K5/4GE7-0K5_decoy_scores.csv |
4GQT-ADP | data/4G/4GQT-ADP/4GQT-ADP_ligand.pdbqt | data/4G/4GQT-ADP/4GQT-ADP_target.pdbqt | data/4G/4GQT-ADP/4GQT-ADP_decoys.pdbqt | data/4G/4GQT-ADP/4GQT-ADP_decoy_scores.csv |
4G3Q-UD1 | data/4G/4G3Q-UD1/4G3Q-UD1_ligand.pdbqt | data/4G/4G3Q-UD1/4G3Q-UD1_target.pdbqt | data/4G/4G3Q-UD1/4G3Q-UD1_decoys.pdbqt | data/4G/4G3Q-UD1/4G3Q-UD1_decoy_scores.csv |
4GTA-FFO | data/4G/4GTA-FFO/4GTA-FFO_ligand.pdbqt | data/4G/4GTA-FFO/4GTA-FFO_target.pdbqt | data/4G/4GTA-FFO/4GTA-FFO_decoys.pdbqt | data/4G/4GTA-FFO/4GTA-FFO_decoy_scores.csv |
4GG7-0J8 | data/4G/4GG7-0J8/4GG7-0J8_ligand.pdbqt | data/4G/4GG7-0J8/4GG7-0J8_target.pdbqt | data/4G/4GG7-0J8/4GG7-0J8_decoys.pdbqt | data/4G/4GG7-0J8/4GG7-0J8_decoy_scores.csv |
4GVX-FUL | data/4G/4GVX-FUL/4GVX-FUL_ligand.pdbqt | data/4G/4GVX-FUL/4GVX-FUL_target.pdbqt | data/4G/4GVX-FUL/4GVX-FUL_decoys.pdbqt | data/4G/4GVX-FUL/4GVX-FUL_decoy_scores.csv |
4G95-OAG | data/4G/4G95-OAG/4G95-OAG_ligand.pdbqt | data/4G/4G95-OAG/4G95-OAG_target.pdbqt | data/4G/4G95-OAG/4G95-OAG_decoys.pdbqt | data/4G/4G95-OAG/4G95-OAG_decoy_scores.csv |
4G6H-NAI | data/4G/4G6H-NAI/4G6H-NAI_ligand.pdbqt | data/4G/4G6H-NAI/4G6H-NAI_target.pdbqt | data/4G/4G6H-NAI/4G6H-NAI_decoys.pdbqt | data/4G/4G6H-NAI/4G6H-NAI_decoy_scores.csv |
4GD8-MA4 | data/4G/4GD8-MA4/4GD8-MA4_ligand.pdbqt | data/4G/4GD8-MA4/4GD8-MA4_target.pdbqt | data/4G/4GD8-MA4/4GD8-MA4_decoys.pdbqt | data/4G/4GD8-MA4/4GD8-MA4_decoy_scores.csv |
4G6G-TRT | data/4G/4G6G-TRT/4G6G-TRT_ligand.pdbqt | data/4G/4G6G-TRT/4G6G-TRT_target.pdbqt | data/4G/4G6G-TRT/4G6G-TRT_decoys.pdbqt | data/4G/4G6G-TRT/4G6G-TRT_decoy_scores.csv |
4GCZ-ADP | data/4G/4GCZ-ADP/4GCZ-ADP_ligand.pdbqt | data/4G/4GCZ-ADP/4GCZ-ADP_target.pdbqt | data/4G/4GCZ-ADP/4GCZ-ADP_decoys.pdbqt | data/4G/4GCZ-ADP/4GCZ-ADP_decoy_scores.csv |
4GD4-0WS | data/4G/4GD4-0WS/4GD4-0WS_ligand.pdbqt | data/4G/4GD4-0WS/4GD4-0WS_target.pdbqt | data/4G/4GD4-0WS/4GD4-0WS_decoys.pdbqt | data/4G/4GD4-0WS/4GD4-0WS_decoy_scores.csv |
4GDB-MA4 | data/4G/4GDB-MA4/4GDB-MA4_ligand.pdbqt | data/4G/4GDB-MA4/4GDB-MA4_target.pdbqt | data/4G/4GDB-MA4/4GDB-MA4_decoys.pdbqt | data/4G/4GDB-MA4/4GDB-MA4_decoy_scores.csv |
4GIV-4GI | data/4G/4GIV-4GI/4GIV-4GI_ligand.pdbqt | data/4G/4GIV-4GI/4GIV-4GI_target.pdbqt | data/4G/4GIV-4GI/4GIV-4GI_decoys.pdbqt | data/4G/4GIV-4GI/4GIV-4GI_decoy_scores.csv |
4GXR-ATP | data/4G/4GXR-ATP/4GXR-ATP_ligand.pdbqt | data/4G/4GXR-ATP/4GXR-ATP_target.pdbqt | data/4G/4GXR-ATP/4GXR-ATP_decoys.pdbqt | data/4G/4GXR-ATP/4GXR-ATP_decoy_scores.csv |
4GW8-3RA | data/4G/4GW8-3RA/4GW8-3RA_ligand.pdbqt | data/4G/4GW8-3RA/4GW8-3RA_target.pdbqt | data/4G/4GW8-3RA/4GW8-3RA_decoys.pdbqt | data/4G/4GW8-3RA/4GW8-3RA_decoy_scores.csv |
4G50-861 | data/4G/4G50-861/4G50-861_ligand.pdbqt | data/4G/4G50-861/4G50-861_target.pdbqt | data/4G/4G50-861/4G50-861_decoys.pdbqt | data/4G/4G50-861/4G50-861_decoy_scores.csv |
4GJI-RAM | data/4G/4GJI-RAM/4GJI-RAM_ligand.pdbqt | data/4G/4GJI-RAM/4GJI-RAM_target.pdbqt | data/4G/4GJI-RAM/4GJI-RAM_decoys.pdbqt | data/4G/4GJI-RAM/4GJI-RAM_decoy_scores.csv |
4G4P-GLN | data/4G/4G4P-GLN/4G4P-GLN_ligand.pdbqt | data/4G/4G4P-GLN/4G4P-GLN_target.pdbqt | data/4G/4G4P-GLN/4G4P-GLN_decoys.pdbqt | data/4G/4G4P-GLN/4G4P-GLN_decoy_scores.csv |
4G47-TZF | data/4G/4G47-TZF/4G47-TZF_ligand.pdbqt | data/4G/4G47-TZF/4G47-TZF_target.pdbqt | data/4G/4G47-TZF/4G47-TZF_decoys.pdbqt | data/4G/4G47-TZF/4G47-TZF_decoy_scores.csv |
4GPJ-0Q1 | data/4G/4GPJ-0Q1/4GPJ-0Q1_ligand.pdbqt | data/4G/4GPJ-0Q1/4GPJ-0Q1_target.pdbqt | data/4G/4GPJ-0Q1/4GPJ-0Q1_decoys.pdbqt | data/4G/4GPJ-0Q1/4GPJ-0Q1_decoy_scores.csv |
4G33-ZPE | data/4G/4G33-ZPE/4G33-ZPE_ligand.pdbqt | data/4G/4G33-ZPE/4G33-ZPE_target.pdbqt | data/4G/4G33-ZPE/4G33-ZPE_decoys.pdbqt | data/4G/4G33-ZPE/4G33-ZPE_decoy_scores.csv |
4GEK-GEK | data/4G/4GEK-GEK/4GEK-GEK_ligand.pdbqt | data/4G/4GEK-GEK/4GEK-GEK_target.pdbqt | data/4G/4GEK-GEK/4GEK-GEK_decoys.pdbqt | data/4G/4GEK-GEK/4GEK-GEK_decoy_scores.csv |
4G3G-0WA | data/4G/4G3G-0WA/4G3G-0WA_ligand.pdbqt | data/4G/4G3G-0WA/4G3G-0WA_target.pdbqt | data/4G/4G3G-0WA/4G3G-0WA_decoys.pdbqt | data/4G/4G3G-0WA/4G3G-0WA_decoy_scores.csv |
4GNY-SDS | data/4G/4GNY-SDS/4GNY-SDS_ligand.pdbqt | data/4G/4GNY-SDS/4GNY-SDS_target.pdbqt | data/4G/4GNY-SDS/4GNY-SDS_decoys.pdbqt | data/4G/4GNY-SDS/4GNY-SDS_decoy_scores.csv |
4GNO-GTP | data/4G/4GNO-GTP/4GNO-GTP_ligand.pdbqt | data/4G/4GNO-GTP/4GNO-GTP_target.pdbqt | data/4G/4GNO-GTP/4GNO-GTP_decoys.pdbqt | data/4G/4GNO-GTP/4GNO-GTP_decoy_scores.csv |
4GKH-0J9 | data/4G/4GKH-0J9/4GKH-0J9_ligand.pdbqt | data/4G/4GKH-0J9/4GKH-0J9_target.pdbqt | data/4G/4GKH-0J9/4GKH-0J9_decoys.pdbqt | data/4G/4GKH-0J9/4GKH-0J9_decoy_scores.csv |
4G9L-NGH | data/4G/4G9L-NGH/4G9L-NGH_ligand.pdbqt | data/4G/4G9L-NGH/4G9L-NGH_target.pdbqt | data/4G/4G9L-NGH/4G9L-NGH_decoys.pdbqt | data/4G/4G9L-NGH/4G9L-NGH_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.