deltaG CHEMBL_ID NAME structureId uniprotAcc authorAssignedEntityName ligand_path protein_path ligand_structure
-12.6 CHEMBL1755 CONIVAPTAN 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL1755_03.pdb PDBS/P0DTD1/6WCF_A.pdb
-12.1 CHEMBL383675 TEMOPORFIN 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL383675_02.pdb PDBS/P0DTC9/6WZO_D.pdb
-12.1 CHEMBL3391662 PARITAPREVIR 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL3391662_01.pdb PDBS/P0DTC9/6WZO_D.pdb
-11.9 CHEMBL450449 TRABECTEDIN 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_C_CHEMBL450449_05.pdb PDBS/P0DTC9/6WZO_C.pdb
-11.8 CHEMBL608533 MIDOSTAURIN 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL608533_03.pdb PDBS/P0DTC9/6WZO_D.pdb
-11.7 CHEMBL442 ERGOTAMINE 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL442_01.pdb PDBS/P0DTC9/6WZO_D.pdb
-11.6 CHEMBL1732 DIHYDROERGOTAMINE 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL1732_01.pdb PDBS/P0DTC9/6WZO_D.pdb
-11.5 CHEMBL1617 RIFAXIMIN 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL1617_04.pdb PDBS/P0DTC9/6WZO_D.pdb
-11.5 CHEMBL2311030 ERGOLOID MESYLATES 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_B_CHEMBL2311030_02.pdb PDBS/P0DTC9/6WZO_B.pdb
-11.4 CHEMBL1200649 QUINUPRISTIN 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_B_CHEMBL1200649_01.pdb PDBS/P0DTC9/6WZO_B.pdb
-11.4 CHEMBL3137309 VENETOCLAX 6WZO P0DTC9 Nucleoprotein RESULTS/6WZO_D_CHEMBL3137309_01.pdb PDBS/P0DTC9/6WZO_D.pdb
-11.1 CHEMBL85 RISPERIDONE 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL85_05.pdb PDBS/P0DTD1/6WCF_A.pdb
-11.0 CHEMBL1015 EVANS BLUE 7BZ5 P0DTC2 Spike protein S1 RESULTS/7BZ5_A_CHEMBL1015_01.pdb PDBS/P0DTC2/7BZ5_A.pdb
-10.8 CHEMBL941 IMATINIB 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL941_03.pdb PDBS/P0DTD1/6WCF_A.pdb
-10.6 CHEMBL1200712 EVANS BLUE 7BZ5 P0DTC2 Spike protein S1 RESULTS/7BZ5_A_CHEMBL1200712_03.pdb PDBS/P0DTC2/7BZ5_A.pdb
-10.6 CHEMBL219916 DOMPERIDONE 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL219916_05.pdb PDBS/P0DTD1/6WCF_A.pdb
-10.6 CHEMBL481 IRINOTECAN 6WEY P0DTD1 Non-structural protein 3 RESULTS/6WEY_A_CHEMBL481_01.pdb PDBS/P0DTD1/6WEY_A.pdb
-10.6 CHEMBL1017 TELMISARTAN 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL1017_01.pdb PDBS/P0DTD1/6WCF_A.pdb
-10.5 CHEMBL206253 NETUPITANT 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL206253_02.pdb PDBS/P0DTD1/6WCF_A.pdb
-10.4 CHEMBL218650 DELAMANID 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL218650_05.pdb PDBS/P0DTD1/6WCF_A.pdb
-10.4 CHEMBL3989866 BICTEGRAVIR 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL3989866_05.pdb PDBS/P0DTD1/6WCF_A.pdb
-10.4 CHEMBL3989867 BICTEGRAVIR SODIUM 6WCF P0DTD1 Non-structural protein 3 RESULTS/6WCF_A_CHEMBL3989867_02.pdb PDBS/P0DTD1/6WCF_A.pdb
-9.8 CHEMBL2105755 NALDEMEDINE 6YZ5 P0DTC2 Spike glycoprotein RESULTS/6YZ5_E_CHEMBL2105755_05.pdb PDBS/P0DTC2/6YZ5_E.pdb
-9.8 CHEMBL1732 DIHYDROERGOTAMINE 6YZ5 P0DTC2 Spike glycoprotein RESULTS/6YZ5_E_CHEMBL1732_01.pdb PDBS/P0DTC2/6YZ5_E.pdb
-9.7 CHEMBL442 ERGOTAMINE 7BZ5 P0DTC2 Spike protein S1 RESULTS/7BZ5_A_CHEMBL442_04.pdb PDBS/P0DTC2/7BZ5_A.pdb
-9.7 CHEMBL383675 TEMOPORFIN 7BZ5 P0DTC2 Spike protein S1 RESULTS/7BZ5_A_CHEMBL383675_01.pdb PDBS/P0DTC2/7BZ5_A.pdb
-9.6 CHEMBL2374220 LEDIPASVIR 7BZ5 P0DTC2 Spike protein S1 RESULTS/7BZ5_A_CHEMBL2374220_04.pdb PDBS/P0DTC2/7BZ5_A.pdb
-9.6 CHEMBL2103870 LUMACAFTOR 6YZ5 P0DTC2 Spike glycoprotein RESULTS/6YZ5_E_CHEMBL2103870_01.pdb PDBS/P0DTC2/6YZ5_E.pdb
-9.6 CHEMBL2311030 ERGOLOID MESYLATES 6YZ5 P0DTC2 Spike glycoprotein RESULTS/6YZ5_E_CHEMBL2311030_01.pdb PDBS/P0DTC2/6YZ5_E.pdb
-9.6 CHEMBL2028663 DABRAFENIB 6YZ5 P0DTC2 Spike glycoprotein RESULTS/6YZ5_E_CHEMBL2028663_05.pdb PDBS/P0DTC2/6YZ5_E.pdb
-9.1 CHEMBL254219 DIGITOXIN 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_B_CHEMBL254219_05.pdb PDBS/P0DTC1/6YHU_B.pdb
-9.1 CHEMBL3391662 PARITAPREVIR 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_C_CHEMBL3391662_05.pdb PDBS/P0DTC1/6YHU_C.pdb
-9.0 CHEMBL608533 MIDOSTAURIN 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_B_CHEMBL608533_02.pdb PDBS/P0DTC1/6YHU_B.pdb
-9.0 CHEMBL2374220 LEDIPASVIR 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_D_CHEMBL2374220_01.pdb PDBS/P0DTC1/6YHU_D.pdb
-9.0 CHEMBL1200969 DUTASTERIDE 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_D_CHEMBL1200969_02.pdb PDBS/P0DTC1/6YHU_D.pdb
-8.9 CHEMBL1755 CONIVAPTAN 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_B_CHEMBL1755_02.pdb PDBS/P0DTC1/6YHU_B.pdb
-8.8 CHEMBL1200969 DUTASTERIDE 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL1200969_02.pdb PDBS/P0DTC7/6W37_A.pdb
-8.8 CHEMBL1751 DIGOXIN 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_D_CHEMBL1751_05.pdb PDBS/P0DTC1/6YHU_D.pdb
-8.8 CHEMBL255863 NILOTINIB 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL255863_05.pdb PDBS/P0DTC7/6W37_A.pdb
-8.8 CHEMBL1293 BETA CAROTENE 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_B_CHEMBL1293_04.pdb PDBS/P0DTC1/6YHU_B.pdb
-8.7 CHEMBL2103870 LUMACAFTOR 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_D_CHEMBL2103870_02.pdb PDBS/P0DTC1/6YHU_D.pdb
-8.7 CHEMBL383675 TEMOPORFIN 6YHU P0DTC1 Replicase polyprotein 1a RESULTS/6YHU_B_CHEMBL383675_05.pdb PDBS/P0DTC1/6YHU_B.pdb
-8.5 CHEMBL521686 OLAPARIB 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL521686_04.pdb PDBS/P0DTC7/6W37_A.pdb
-8.4 CHEMBL3137309 VENETOCLAX 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL3137309_05.pdb PDBS/P0DTC7/6W37_A.pdb
-8.1 CHEMBL1732 DIHYDROERGOTAMINE 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL1732_05.pdb PDBS/P0DTC7/6W37_A.pdb
-8.1 CHEMBL3545057 ACETYLDIGITOXIN 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL3545057_05.pdb PDBS/P0DTC7/6W37_A.pdb
-8.0 CHEMBL254219 DIGITOXIN 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL254219_02.pdb PDBS/P0DTC7/6W37_A.pdb
-8.0 CHEMBL1171837 PONATINIB 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL1171837_05.pdb PDBS/P0DTC7/6W37_A.pdb
-8.0 CHEMBL1463345 CANRENONE 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL1463345_04.pdb PDBS/P0DTC7/6W37_A.pdb
-8.0 CHEMBL481 IRINOTECAN 6W37 P0DTC7 Protein 7a RESULTS/6W37_A_CHEMBL481_05.pdb PDBS/P0DTC7/6W37_A.pdb