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| PDB ID: 2ofz Macromolecule: NUCLEOCAPSID PROTEIN Source Organism: SARS-COV Tor2 Gene names: N UniProt ID: P59595 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2ofz'
1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.| DrReposER ID / Desc. | Drug | Res. Matches |
View | Interface | RMSD | Seq. Identity (%) |
HETATM | Dock | |
|---|---|---|---|---|---|---|---|---|---|
 Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TKG_B_ROCB801_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.09A | 23.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3JB3_A_SAMA1102_0 (STRUCTURAL PROTEINVP3) | S-Adenosylmethionine | 5 / 12 | TYR A 87ILE A 147GLY A 148ALA A 120ASN A 151 | 1.35A | 8.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1RL8_A_RITA9001_1 (PROTEASE RETROPEPSIN) | Ritonavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 22.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5TZO_A_7V7A202_1 (ENDO-1,4-BETA-XYLANASE A) | Fentanyl | 5 / 12 | VAL A 73PRO A 81TYR A 113ALA A 135GLY A 70 | 1.77A | 18.28 | None | ||
 Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 1MNV_D_DVAD2_0 (ACTINOMYCIN D) | L-Valine | 3 / 3 | THR A 166PRO A 68THR A 167 | 1.53A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2GLU_A_SAMA301_0 (YCGJ) | S-Adenosylmethionine | 5 / 12 | GLY A 148HIS A 146ALA A 51THR A 50ALA A 157 | 1.57A | 21.58 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1YC5_A_NCAA2001_0 (NAD-DEPENDENTDEACETYLASE) | Nicotinamide | 4 / 7 | ILE A 147ASP A 145ILE A 85ASP A 83 | 1.06A | 17.72 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1HXB_A_ROCA100_1 (HIV-1 PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.11A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDT_A_ROCA101_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.02A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ZVG_A_SAMA401_0 (389AA LONGHYPOTHETICALNUCLEOLAR PROTEIN) | S-Adenosylmethionine | 5 / 12 | ALA A 139PRO A 143GLY A 115LYS A -4SER A -6 | 1.59A | 18.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2RKG_B_AB1B501_1 (PROTEASE RETROPEPSIN) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.03A | 26.76 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VOO_F_C2FF3001_0 (5-METHYLTETRAHYDROFOLATE HOMOCYSTEINES-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | GLU A 119GLY A 117LEU A 65GLY A 130ILE A 131 | 1.30A | 16.44 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DJ1_B_AB1B201_1 (HIV-1 PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.12A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5E5K_B_017B201_1 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.09A | 24.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Z54_A_AB1A200_1 (HIV-1 PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.03A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1S9P_B_DESB459_2 (ESTROGEN-RELATEDRECEPTOR GAMMA) | Diethylstilbestrol | 3 / 3 | LEU A 114HIS A 146ILE A 147 | 0.90A | 19.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DJ2_B_AB1B201_1 (HIV-1 PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.12A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4TVT_A_ASCA301_0 (THAUMATIN-1) | Vitamin C | 3 / 3 | THR A 77ASN A 78SER A 79 | 1.26A | 20.48 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 2D55_C_DVAC8_0 (ACTINOMYCIN D) | L-Valine | 3 / 3 | PRO A 68THR A 167PRO A 169 | 1.53A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3LZU_A_017A200_1 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 24.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1SGU_B_MK1B2632_2 (POL POLYPROTEIN) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.04A | 24.29 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3U7S_A_017A202_2 (POL POLYPROTEIN) | Darunavir | 5 / 9 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 73 | 1.43A | 25.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UBO_A_ADNA353_1 (ADENOSINE KINASE) | Adenosine | 5 / 12 | ASN A 141ILE A -3GLY A 138GLY A 80ASP A 82 | 1.49A | 15.47 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1JU6_D_LYAD315_1 (THYMIDYLATE SYNTHASE) | Pemetrexed | 5 / 11 | ILE A 147LEU A 114GLY A 115TYR A 124ALA A 135 | 1.76A | 18.31 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VEU_A_RITA602_1 (CYTOCHROME P450 3A5) | Ritonavir | 5 / 12 | LEU A 160PHE A 67PHE A 172ALA A 91GLY A 130 | 1.39A | 15.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4TVT_A_ASCA303_0 (THAUMATIN-1) | Vitamin C | 4 / 7 | LYS A 128LEU A 122GLU A 119SER A 121 | 1.52A | 20.48 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4Z4F_A_IPHA902_0 (PROTEIN ARGONAUTE-2) | Phenol | 4 / 7 | LEU A 160PRO A 74LEU A 57TYR A 88 | 1.26A | 9.90 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4LS7_A_1X9A504_1 (3-OXOACYL-[ACYL-CARRIER-PROTEIN]SYNTHASE 2) | Cerulenin | 5 / 12 | GLY A 86ALA A 135SER A 79THR A 166GLY A 70 | 1.41A | 17.29 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3V4T_H_ACTH503_0 (UDP-N-ACETYLGLUCOSAMINE1-CARBOXYVINYLTRANSFERASE) | Acetic acid | 4 / 7 | ALA A 139ILE A -3HIS A -1GLY A 70 | 1.15A | 14.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6FOS_B_PQNB2002_1 (PHOTOSYSTEM I P700CHLOROPHYLL AAPOPROTEIN A2) | Phylloquinone | 4 / 6 | ARG A 108TRP A 109ALA A 56LEU A 57 | 1.70A | 11.08 | EDO A 638 (-3.7A)NoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NMZ_B_ROCB401_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.00A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2O4S_A_AB1A400_2 (PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.15A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5KQY_B_017B101_2 (PROTEASE E35D-DRV) | Darunavir | 4 / 7 | GLY A 138ALA A 139ASP A 82ASP A 83 | 0.91A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Y7W_C_SALC1300_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 4 / 7 | THR A 116ILE A 147PHE A 111ILE A 85 | 1.34A | 22.67 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3CE6_B_ADNB500_2 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 4 / 5 | LEU A 168GLN A 161THR A 58HIS A 60 | 1.59A | 14.46 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1BX4_A_ADNA350_1 (PROTEIN (ADENOSINEKINASE)) | Adenosine | 5 / 12 | GLN A 161LEU A 57GLY A 165ALA A 174LEU A 168 | 1.49A | 15.36 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5KB6_B_ADNB401_1 (ADENOSINE KINASE) | Adenosine | 5 / 12 | GLY A 138ASP A 83ALA A 135GLY A 70ILE A 85 | 1.27A | 16.17 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1MT1_A_AG2A7005_1 (PYRUVOYL-DEPENDENTARGININEDECARBOXYLASE BETACHAINPYRUVOYL-DEPENDENTARGININEDECARBOXYLASE ALPHACHAIN) | Agmatine | 4 / 6 | ASP A -5LEU A 140ILE A 85GLU A 137 | 1.74A | 17.9720.71 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 1MNV_D_DVAD8_0 (ACTINOMYCIN D) | L-Valine | 3 / 3 | THR A 167THR A 166PRO A 68 | 1.43A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1SDT_B_MK1B902_2 (PROTEASE RETROPEPSIN) | Indinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.79A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AVO_B_MK1B902_2 (POL POLYPROTEIN) | Indinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.79A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1N2X_B_SAMB402_0 (S-ADENOSYL-METHYLTRANSFERASE MRAW) | S-Adenosylmethionine | 5 / 12 | THR A 136GLY A 138HIS A -1ASP A 82ASN A 76 | 1.32A | 13.82 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2R5Q_B_1UNB900_2 (PROTEASE) | Nelfinavir | 5 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.14A | 25.71 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4K8C_A_ADNA401_2 (SUGAR KINASE) | Adenosine | 3 / 3 | SER A 52TYR A 112PRO A 152 | 1.68A | 19.64 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2F7F_A_NIOA602_1 (NICOTINATEPHOSPHORIBOSYLTRANSFERASE, PUTATIVE) | Niacin | 4 / 5 | HIS A 146ILE A 147PRO A 143ASP A 145 | 1.55A | 13.77 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AVV_E_MK1E902_3 (POL POLYPROTEIN) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 22.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1HSH_A_MK1A401_1 (HIV-II PROTEASE) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.07A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3EL5_B_1UNB201_2 (PROTEASE) | Nelfinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163VAL A 73 | 1.45A | 23.94 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5U98_A_1KXA301_2 (HLA CLASS IHISTOCOMPATIBILITYANTIGEN, B-57 ALPHACHAINVAL-THR-THR-ASP-ILE-GLN-VAL-LYS-VAL) | Abacavir | 3 / 3 | THR A 166VAL A 134VAL A 132 | 1.16A | 6.12 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDW_A_RITA100_1 (PROTEASE) | Ritonavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.04A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3D1Y_A_ROCA201_1 (HIV-1 PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.05A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1BZM_A_MZMA262_1 (CARBONIC ANHYDRASE I) | Methazolamide | 4 / 8 | PHE A 111HIS A 146LEU A 114THR A 142 | 1.55A | 19.38 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1SDU_B_MK1B902_2 (PROTEASE RETROPEPSIN) | Indinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.75A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5B6I_B_ADNB302_1 (FLUORINASE) | Adenosine | 4 / 6 | TRP A 109THR A 58THR A 92SER A 106 | 1.64A | 21.81 | NoneNoneNoneEDO A 638 (-3.3A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OHT_B_1N1B1000_1 (P38A) | Dasatinib | 5 / 12 | GLY A 86VAL A 134LEU A 168THR A 166LEU A 160 | 1.32A | 16.80 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TKW_B_017B401_1 (PROTEASE) | Darunavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.77A | 23.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OU6_A_SAMA300_0 (SAM-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | LEU A 114TYR A 113GLY A 148GLY A 115ALA A 51 | 1.23A | 19.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3G0F_A_B49A9001_1 (MAST/STEM CELLGROWTH FACTORRECEPTOR) | Sunitinib | 5 / 11 | VAL A 134ALA A 135THR A 136GLY A 115PHE A 111 | 1.56A | 16.62 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Y7K_A_SALA1302_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 11 | ILE A 85GLY A 86TYR A 113PHE A 111GLY A 72 | 1.28A | 23.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1AZM_A_AZMA262_1 (CARBONIC ANHYDRASE I) | Acetazolamide | 4 / 8 | PHE A 111HIS A 146LEU A 114THR A 142 | 1.55A | 19.38 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3D1Z_B_017B201_2 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.07A | 24.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1GTN_G_TRPG81_0 (TRP RNA-BINDINGATTENUATION PROTEIN) | L-Tryptophan | 4 / 7 | SER A -6GLY A 138THR A 142ILE A -3 | 1.39A | 16.90 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4E1G_B_LNLB701_1 (PROSTAGLANDIN G/HSYNTHASE 2) | Alpha-Linolenic Acid | 5 / 12 | PHE A 54PHE A 111TYR A 113GLY A 86ALA A 135 | 1.27A | 13.65 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1MUI_B_AB1B100_2 (PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.07A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AVV_A_MK1A901_3 (POL POLYPROTEIN) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.05A | 22.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2KOT_B_ANWB99_0 (PROTEIN S100-A13) | Amlexanox | 4 / 8 | ALA A 120THR A 149LYS A 144ASP A 145 | 1.45A | 18.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2ZE2_A_T27A556_1 (REVERSETRANSCRIPTASE/RIBONUCLEASE H) | Rilpivirine | 5 / 10 | PRO A 74VAL A 132TYR A 110PRO A 107LEU A 57 | 1.77A | 14.88 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDI_A_SAMA601_0 (METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | PHE A 111PHE A 54ALA A 120THR A 116ILE A 147 | 1.68A | 14.73 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3E23_A_SAMA221_0 (UNCHARACTERIZEDPROTEIN RPA2492) | S-Adenosylmethionine | 5 / 12 | PRO A 74GLY A 86GLY A 125LEU A 114HIS A -1 | 1.42A | 21.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1TGM_A_AINA202_1 (PHOSPHOLIPASE A2) | Acetylsalicylic acid | 3 / 3 | LEU A 114ALA A 139ILE A -3 | 0.67A | 18.92 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDU_D_ROCD100_2 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.08A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5T8H_B_478B401_2 (PROTEASE) | Amprenavir | 5 / 12 | GLY A 138ALA A 139ASP A 83VAL A 73GLY A 70 | 1.38A | 24.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1P33_A_MTXA351_1 (PTERIDINE REDUCTASE1) | Methotrexate | 5 / 12 | SER A 79TYR A 113LEU A 160LEU A 162PRO A 163 | 1.64A | 19.59 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3SPK_A_TPVA100_2 (HIV-1 PROTEASE) | Tipranavir | 4 / 7 | LEU A 140ALA A 135GLY A 125THR A 142 | 1.11A | 23.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Y7K_C_SALC1302_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 12 | ILE A 85GLY A 86TYR A 113PHE A 111GLY A 72 | 1.29A | 23.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4XMF_A_HSMA202_1 (NITROPHORIN-7) | Histamine | 3 / 3 | ASP A 145LEU A 114GLY A 115 | 1.13A | 24.31 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2XKK_E_MFXE1100_1 (TOPOISOMERASE IVDNA) | Moxifloxacin | 3 / 3 | ARG A 89GLU A 104SER A 52 | 1.11A | 11.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OXW_B_017B200_1 (HIV-1 PROTEASE) | Darunavir | 5 / 10 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134 | 1.53A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1HSH_C_MK1C402_1 (HIV-II PROTEASE) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.10A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4R29_B_SAMB301_0 (UNCHARACTERIZEDPROTEIN) | S-Adenosylmethionine | 5 / 12 | SER A 79GLY A 80GLY A 86TYR A 113TYR A 88 | 1.58A | 15.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4L1A_A_AB1A101_2 (MDR769 HIV-1PROTEASE) | Lopinavir | 4 / 6 | ASN A 76ASP A 83GLY A 148THR A 158 | 1.29A | 23.61 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4KBE_A_ADNA401_2 (PROBABLE SUGARKINASE PROTEIN) | Adenosine | 3 / 3 | SER A 52TYR A 112PRO A 152 | 1.67A | 19.64 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DJ1_B_AB1B201_0 (HIV-1 PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.09A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4O4D_A_ACTA406_0 (INOSITOLHEXAKISPHOSPHATEKINASE) | Acetic acid | 4 / 7 | TRP A 109ARG A 108SER A 106HIS A 60 | 1.71A | 19.61 | NoneEDO A 638 (-3.7A)EDO A 638 (-3.3A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2HA4_B_ACTB601_0 (ACETYLCHOLINESTERASE) | Acetic acid | 4 / 7 | GLY A 138ALA A 135ALA A 139HIS A -1 | 1.32A | 14.10 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2VDB_A_NPSA1591_1 (SERUM ALBUMIN) | Naproxen | 4 / 8 | ILE A -3TYR A 124ARG A 69GLY A 70 | 1.35A | 11.45 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2CPP_A_CAMA422_0 (CYTOCHROME P450-CAM) | Camphor | 4 / 7 | PHE A 67TYR A 88THR A 166LEU A 160 | 1.47A | 14.25 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4V1F_B_BQ1B1087_0 (F0F1 ATP SYNTHASESUBUNIT C) | Bedaquiline | 5 / 8 | ALA A 139ALA A 135ILE A -3ALA A 126TYR A 124 | 1.73A | 20.77 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NNK_A_ROCA401_1 (PROTEASE) | Saquinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163VAL A 73 | 1.40A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OU7_B_SAMB300_1 (SAM-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | TYR A 124ASP A -5ASP A 82 | 1.38A | 19.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4Q1W_A_017A104_1 (ASPARTYL PROTEASE) | Darunavir | 5 / 9 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134 | 1.47A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 13GS_B_SASB211_1 (GLUTATHIONES-TRANSFERASE) | Sulfasalazine | 5 / 9 | PRO A 74VAL A 73ILE A -3TYR A 124GLY A 86 | 1.54A | 21.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2R5P_B_MK1B902_2 (PROTEASE) | Indinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.74A | 25.71 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1HSG_B_MK1B902_2 (HIV-1 PROTEASE) | Indinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.79A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4HLA_A_017A200_1 (PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.07A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1QVT_A_PRLA311_0 (TRANSCRIPTIONALREGULATOR QACR) | Proflavine | 4 / 8 | GLU A 129GLU A 64THR A 92ILE A 131 | 1.35A | 19.19 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NMU_J_SAMJ228_0 (FIBRILLARIN-LIKERRNA/TRNA2'-O-METHYLTRANSFERASENOP5/NOP56 RELATEDPROTEIN) | S-Adenosylmethionine | 5 / 11 | GLY A 138ILE A -3ALA A 135ASP A 82GLN A 84 | 1.76A | 18.0322.28 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2X2I_B_QPSB1060_1 (ALPHA-1,4-GLUCANLYASE ISOZYME 1) | Acarbose | 5 / 10 | THR A 136VAL A 73ASN A 141GLY A 138GLN A 84 | 1.72A | 9.02 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OHT_A_1N1A1000_1 (P38A) | Dasatinib | 5 / 12 | GLY A 86VAL A 134LEU A 168THR A 166LEU A 160 | 1.27A | 16.80 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NNP_A_ROCA401_1 (PROTEASE) | Saquinavir | 5 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.00A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1YA4_A_CTXA11_1 (CES1 PROTEIN) | Tamoxifen | 4 / 8 | LEU A 162GLY A 72LEU A 57PRO A 169 | 1.26A | 13.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2ZJ0_B_2FAB500_2 (ADENOSYLHOMOCYSTEINASE) | Fludarabine | 4 / 5 | LEU A 168GLN A 161THR A 58HIS A 60 | 1.52A | 14.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TWP_A_SALA404_1 (ANTHRANILATEPHOSPHORIBOSYLTRANSFERASE) | Salicylic acid | 4 / 7 | ALA A 56ARG A 93ALA A 91ARG A 89 | 1.62A | 15.96 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4PTH_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 147TRP A 53THR A 142ILE A 85THR A 149 | 1.65A | 19.51 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2R5P_D_MK1D902_2 (PROTEASE) | Indinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.74A | 25.71 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3T3C_A_017A201_1 (HIV-1 PROTEASE) | Darunavir | 4 / 7 | GLY A 138ALA A 139ASP A 82ASP A 83 | 0.89A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3JW2_A_017A401_1 (GAG-POL POLYPROTEIN) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.15A | 22.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4LG1_B_SAMB301_0 (PROTEIN-LYSINEMETHYLTRANSFERASEMETTL21D) | S-Adenosylmethionine | 5 / 12 | ALA A 135GLY A 72LEU A 168LEU A 162GLU A 63 | 1.56A | 19.66 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1YAJ_A_BEZA11_0 (CES1 PROTEIN) | Benzoic Acid | 4 / 4 | LEU A 160SER A 52LEU A 65LEU A 57 | 1.68A | 13.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OY4_B_017B200_2 (HIV-1 PROTEASE) | Darunavir | 5 / 10 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134 | 1.45A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2O4S_A_AB1A400_1 (PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4XO7_B_ASDB402_1 (ALDO-KETO REDUCTASEFAMILY 1 MEMBER C2) | 4-Androstenedione | 4 / 7 | TYR A 88VAL A 73ILE A 75LEU A 168 | 1.42A | 16.21 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4KAH_A_ADNA401_2 (PROBABLE SUGARKINASE PROTEIN) | Adenosine | 3 / 3 | SER A 52TYR A 112PRO A 152 | 1.70A | 19.64 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4EYR_B_RITB301_2 (HIV-1 PROTEASE) | Ritonavir | 4 / 8 | GLY A 138ASP A 82ASP A 83PRO A 163 | 0.96A | 23.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UBO_B_ADNB353_2 (ADENOSINE KINASE) | Adenosine | 4 / 5 | SER A 52ILE A 131GLY A 117PRO A 118 | 1.38A | 15.47 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6B0I_B_TA1B502_1 (TUBULIN BETA CHAIN) | Paclitaxel | 5 / 12 | ALA A 56SER A 52PRO A 74GLY A 72LEU A 162 | 1.36A | 13.03 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1SV9_A_DIFA701_1 (PHOSPHOLIPASE A2) | Diclofenac | 4 / 8 | LEU A 114ALA A 139ILE A -3HIS A 146 | 1.08A | 18.92 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3S56_A_ROCA201_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 24.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DQB_B_017B101_2 (ASPARTYL PROTEASE) | Darunavir | 5 / 10 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134 | 1.50A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3APW_B_DP0B190_1 (ALPHA-1-ACIDGLYCOPROTEIN 2) | Disopyramide | 5 / 12 | ILE A 75PHE A 111ALA A 139SER A 79TYR A 113 | 1.55A | 18.23 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4AZS_A_SAMA1475_0 (METHYLTRANSFERASEWBDD) | S-Adenosylmethionine | 5 / 12 | GLN A 59GLY A 130ILE A 131GLU A 119LEU A 65 | 1.62A | 13.19 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4IJI_H_BEZH501_0 (GLUTATHIONES-TRANSFERASE-LIKEPROTEIN YIBF) | Benzoic Acid | 4 / 7 | ALA A 51SER A 52ARG A 89TYR A 112 | 1.62A | 20.70 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1FB7_A_ROCA100_1 (HIV-1 PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.05A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3UA1_A_08YA600_1 (CYTOCHROME P450 3A4) | Bromocriptine | 5 / 12 | PHE A 54ILE A -3PHE A 111THR A 116THR A 166 | 1.60A | 13.96 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3M6W_A_SAMA465_0 (RRNA METHYLASE) | S-Adenosylmethionine | 5 / 12 | PRO A 81GLY A 80VAL A 134PRO A 163LEU A 162 | 1.48A | 13.91 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2XN3_A_ID8A1356_1 (THYROXINE-BINDINGGLOBULIN) | Mefenamic acid | 4 / 8 | LEU A 65LEU A 160LEU A 168ARG A 108 | 1.22A | 16.9215.45 | NoneNoneNoneEDO A 638 (-3.7A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OXC_A_ROCA401_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.00A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1JU6_A_LYAA317_1 (THYMIDYLATE SYNTHASE) | Pemetrexed | 5 / 11 | ILE A 147LEU A 114GLY A 115TYR A 124ALA A 135 | 1.76A | 18.31 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2PGZ_D_COCD401_1 (SOLUBLEACETYLCHOLINERECEPTOR) | Cocaine | 4 / 6 | TYR A 113TYR A 88GLN A 161ILE A 75 | 1.77A | 17.67 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TL9_A_ROCA401_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.05A | 23.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5N0O_A_SAMA501_1 (PEPTIDEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | ALA A 174GLN A 164THR A 166 | 0.99A | 15.52 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4E3A_B_ADNB500_1 (SUGAR KINASE PROTEIN) | Adenosine | 5 / 12 | ASN A 141ILE A -3GLY A 138GLY A 80ASP A 82 | 1.46A | 19.64 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1GTN_E_TRPE81_0 (TRP RNA-BINDINGATTENUATION PROTEIN) | L-Tryptophan | 4 / 6 | SER A -6GLY A 138THR A 142ILE A -3 | 1.38A | 16.90 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3SUG_A_SUEA1201_1 (NS3 PROTEASE, NS4APROTEIN) | Grazoprevir | 5 / 12 | GLY A 86VAL A 132GLY A 148ARG A 89ALA A 51 | 1.50A | 23.16 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5KQX_A_ROCA101_1 (PROTEASE E35D-SQV) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.04A | 23.53 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4HIV_D_DVAD2_0 (ACTINOMYCIN D) | L-Valine | 3 / 3 | THR A 166PRO A 68THR A 167 | 1.49A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4MA8_C_Z80C301_1 (MAJOR PRION PROTEIN) | Chlorpromazine | 4 / 5 | LEU A 114GLY A 86ILE A -3LYS A -4 | 1.40A | 17.36 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Y7W_B_SALB1300_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 10 | ILE A 85GLY A 86PHE A 111GLY A 72HIS A -1 | 1.56A | 22.67 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3ELZ_A_CHDA152_0 (ILEAL BILEACID-BINDING PROTEIN) | Cholic Acid | 3 / 3 | VAL A 95LYS A 103HIS A 60 | 1.09A | 25.47 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3K4V_B_ROCB201_1 (HIV-1 PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.09A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4ZVM_A_DM2A303_1 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) | Epirubicin | 5 / 12 | GLY A 72THR A 136GLN A 161ILE A 75PHE A 54 | 1.47A | 20.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3N3I_A_ROCA201_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134 | 1.41A | 20.98 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3APW_A_DP0A190_1 (ALPHA-1-ACIDGLYCOPROTEIN 2) | Disopyramide | 5 / 12 | ILE A 75PHE A 111ALA A 139SER A 79TYR A 113 | 1.57A | 18.23 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4NQA_A_9CRA501_1 (RETINOIC ACIDRECEPTOR RXR-ALPHA) | Alitretinoin | 5 / 11 | ALA A 56PHE A 54ARG A 150ALA A 51VAL A 134 | 1.63A | 16.07 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4LG1_A_SAMA301_0 (PROTEIN-LYSINEMETHYLTRANSFERASEMETTL21D) | S-Adenosylmethionine | 5 / 12 | ALA A 135GLY A 72LEU A 168LEU A 162GLU A 63 | 1.57A | 19.66 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3ROD_A_NCAA302_0 (NICOTINAMIDEN-METHYLTRANSFERASE) | Nicotinamide | 4 / 8 | LEU A 160ALA A 56SER A 52TYR A 88 | 1.33A | 22.22 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4HWK_C_SFYC804_0 (SEPIAPTERINREDUCTASE) | Sulfapyridine | 5 / 12 | LEU A 57PHE A 54TYR A 88PRO A 163ALA A 174 | 1.48A | 19.45 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NNK_A_ROCA401_3 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ASP A 82ASP A 83PRO A 163VAL A 73 | 1.26A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3EKQ_A_ROCA100_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.14A | 23.08 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1D4S_A_TPVA201_2 (PROTEIN (HIV-1PROTEASE)) | Tipranavir | 4 / 8 | GLY A 138ILE A -3PHE A 67VAL A 73 | 1.08A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4WA9_B_AXIB9000_1 (TYROSINE-PROTEINKINASE ABL1) | Axitinib | 5 / 12 | TYR A 88THR A 166LEU A 160ALA A 174PHE A 172 | 1.54A | 18.69 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3EKT_D_017D200_1 (PROTEASE) | Darunavir | 5 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.12A | 23.08 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3U7S_A_017A201_1 (POL POLYPROTEIN) | Darunavir | 5 / 9 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 73 | 1.45A | 25.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2ZW9_A_SAMA801_0 (LEUCINE CARBOXYLMETHYLTRANSFERASE 2) | S-Adenosylmethionine | 5 / 12 | ILE A 147SER A 52GLY A 115GLY A 117TYR A 113 | 1.62A | 10.37 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5X7P_B_ACRB1421_1 (GLYCOSIDE HYDROLASEFAMILY 31ALPHA-GLUCOSIDASE) | Acarbose | 4 / 6 | TYR A 124GLU A 119TYR A 87GLY A 86 | 1.49A | 9.74 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2OPX_A_DXCA1003_0 (ALDEHYDEDEHYDROGENASE A) | Deoxycholic Acid | 4 / 5 | ILE A 85LEU A 114ASP A -5ALA A 139 | 1.52A | 15.56 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1IOL_A_ESTA400_1 (ESTROGENIC 17-BETAHYDROXYSTEROIDDEHYDROGENASE) | Estradiol | 5 / 11 | VAL A 134GLY A 86TYR A 113GLY A 72GLU A 137 | 1.45A | 18.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3EKX_B_1UNB201_1 (PROTEASE) | Nelfinavir | 5 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Y7K_D_SALD1300_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 12 | ILE A 85GLY A 86TYR A 113PHE A 111GLY A 72 | 1.28A | 23.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1QKN_A_RALA600_1 (ESTROGEN RECEPTORBETA) | Raloxifene | 5 / 12 | ALA A 126LEU A 122ILE A -3ILE A 85GLY A 86 | 1.28A | 17.93 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3HBB_C_TMQC613_1 (DIHYDROFOLATEREDUCTASE-THYMIDYLATE SYNTHASE) | Trimetrexate | 5 / 11 | VAL A 134ILE A 75LEU A 57TYR A 113THR A 136 | 1.58A | 12.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3K8M_A_ACRA720_1 (ALPHA-AMYLASE, SUSG) | Acarbose | 4 / 7 | TYR A 124GLU A 137LEU A 114TRP A 133 | 1.63A | 11.80 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4WNV_D_QI9D602_0 (CYTOCHROME P450 2D6) | Quinine | 4 / 7 | PHE A 111SER A 52THR A 116VAL A 134 | 1.37A | 14.50 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2OKC_A_SAMA500_0 (TYPE I RESTRICTIONENZYME STYSJI MPROTEIN) | S-Adenosylmethionine | 5 / 12 | ILE A 147ALA A 51GLY A 117GLY A 148ARG A 93 | 1.35A | 18.60 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2R5Q_D_1UND900_2 (PROTEASE) | Nelfinavir | 5 / 10 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.14A | 25.71 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NMY_A_ROCA401_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.08A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2QHC_B_AB1B9001_2 (PROTEASE RETROPEPSIN) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.01A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4AC9_C_DXCC1478_0 (MJ0495-LIKE PROTEIN) | Deoxycholic Acid | 4 / 7 | ASP A 83GLY A 148THR A 149SER A 79 | 1.18A | 14.78 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4TVT_A_ASCA302_0 (THAUMATIN-1) | Vitamin C | 3 / 3 | ARG A 90GLN A 59GLU A 64 | 1.68A | 20.48 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4L1A_A_AB1A101_1 (MDR769 HIV-1PROTEASE) | Lopinavir | 5 / 11 | GLY A 138ASP A 82ASP A 83PRO A 163VAL A 73 | 1.43A | 23.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3B9M_A_SALA1200_1 (SERUM ALBUMIN) | Salicylic acid | 4 / 5 | ILE A -3TYR A 124ARG A 69GLY A 70 | 1.78A | 11.35 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 1QFI_A_DVAA8_0 (ACTINOMYCIN X2) | L-Valine | 3 / 3 | THR A 167THR A 166PRO A 68 | 1.42A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3CYW_A_017A201_1 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.25A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2HS2_A_017A201_2 (PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.08A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2X2I_D_QPSD1060_1 (ALPHA-1,4-GLUCANLYASE ISOZYME 1) | Acarbose | 5 / 10 | THR A 136VAL A 73ASN A 141GLY A 138GLN A 84 | 1.66A | 9.02 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5KB6_A_ADNA401_1 (ADENOSINE KINASE) | Adenosine | 5 / 12 | GLY A 138ASP A 83ALA A 135GLY A 70ILE A 85 | 1.28A | 16.17 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1C6Y_B_MK1B524_2 (PROTEIN (PROTEASE)) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.18A | 22.06 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1K6C_B_MK1B902_2 (POL POLYPROTEIN) | Indinavir | 5 / 12 | GLY A 138ASP A 82ASP A 83PRO A 163VAL A 73 | 1.32A | 23.94 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1OHR_A_1UNA201_1 (ASPARTYLPROTEASE) | Nelfinavir | 5 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.12A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1MUI_B_AB1B100_1 (PROTEASE) | Lopinavir | 5 / 10 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.11A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4R29_C_SAMC301_0 (UNCHARACTERIZEDPROTEIN) | S-Adenosylmethionine | 5 / 12 | SER A 79GLY A 80GLY A 86TYR A 113TYR A 88 | 1.59A | 15.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4GRK_A_KTRA713_1 (LACTOTRANSFERRIN) | Ketorolac | 4 / 5 | THR A 166GLY A 72VAL A 134PRO A 74 | 1.48A | 18.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5T2Z_B_017B201_1 (PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.11A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4U15_A_0HKA2001_2 (MUSCARINICACETYLCHOLINERECEPTORM3,LYSOZYME,MUSCARINIC ACETYLCHOLINERECEPTOR M3) | Tiotropium | 3 / 3 | ASN A 155PHE A 54TYR A 112 | 1.32A | 16.88 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3CYX_A_ROCA201_1 (HIV-1 PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.10A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2B7Z_B_MK1B200_1 (HIV-1 PROTEASE) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.12A | 24.29 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ODQ_A_ACTA703_0 (HETERODISULFIDEREDUCTASE, SUBUNIT A) | Acetic acid | 4 / 6 | ARG A 93ARG A 108ALA A 91GLU A 104 | 1.52A | 11.93 | NoneEDO A 638 (-3.7A)NoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5E8Q_B_FOLB201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 147TRP A 53THR A 142ILE A 85THR A 149 | 1.54A | 19.51 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4CKJ_A_ADNA2014_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE RECEPTOR RET) | Adenosine | 5 / 10 | LEU A 114GLY A 115GLY A 117VAL A 134ALA A 139 | 1.31A | 17.95 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3D1X_A_ROCA201_1 (HIV-1 PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 24.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1W0G_A_MYTA1499_1 (CYTOCHROME P450 3A4) | Metyrapone | 4 / 6 | SER A 52ALA A 56THR A 58ALA A 91 | 1.32A | 14.02 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5UUN_B_ACTB309_0 (GLUTATHIONES-TRANSFERASE-LIKEPROTEIN) | Acetic acid | 3 / 3 | TYR A 112ALA A 56TYR A 110 | 1.49A | 18.71 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5Y7Z_A_IREA401_0 (CYCLIN-G-ASSOCIATEDKINASE) | Gefitinib | 5 / 12 | LEU A 162ALA A 174LEU A 168GLY A 165GLN A 164 | 1.45A | 17.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3JW2_A_017A401_2 (GAG-POL POLYPROTEIN) | Darunavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.80A | 22.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6AG0_A_ACRA605_0 (ALPHA-AMYLASE) | Acarbose | 4 / 8 | GLY A 86ILE A 85ASP A 145HIS A 146 | 1.47A | 13.52 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3PWR_A_ROCA401_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.01A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ESH_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4 / 5 | TYR A 110TRP A 109LEU A 105PRO A 107 | 1.59A | 12.36 | NoneNoneEDO A 638 (-3.8A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5Z84_J_CHDJ101_0 (CYTOCHROME C OXIDASESUBUNIT 7A1,MITOCHONDRIAL) | Cholic Acid | 3 / 3 | TYR A 110ARG A 108THR A 92 | 1.46A | 23.15 | NoneEDO A 638 (-3.7A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5T7B_A_IPHA902_0 (PROTEIN ARGONAUTE-2) | Phenol | 4 / 7 | LEU A 160PRO A 74LEU A 57TYR A 88 | 1.33A | 9.78 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1RL8_A_RITA9001_2 (PROTEASE RETROPEPSIN) | Ritonavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.07A | 22.79 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4HWK_B_SFYB806_0 (SEPIAPTERINREDUCTASE) | Sulfapyridine | 5 / 11 | LEU A 57PHE A 54TYR A 88PRO A 163ALA A 174 | 1.48A | 19.45 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4G0U_F_ASWF101_1 (DNA TOPOISOMERASE2-BETA) | Amsacrine | 4 / 6 | PRO A 118ARG A 89ALA A 51GLN A 59 | 1.50A | 10.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2BPX_B_MK1B902_2 (HIV-1 PROTEASE) | Indinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.04A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2JN3_A_JN3A130_2 (FATTY ACID-BINDINGPROTEIN, LIVER) | Ursodeoxycholic acid | 4 / 7 | PHE A 172LEU A 162GLU A 64ARG A 66 | 1.44A | 20.41 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2RKF_A_AB1A501_1 (PROTEASE RETROPEPSIN) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 0.99A | 26.95 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDX_A_RITA100_1 (PROTEASE) | Ritonavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.03A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VOP_B_C2FB3001_0 (5-METHYLTETRAHYDROFOLATE HOMOCYSTEINES-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | GLU A 119GLY A 117LEU A 65GLY A 130ILE A 131 | 1.37A | 16.44 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Y4N_B_PACB503_0 (PHENYLACETATE-COENZYME A LIGASE) | Phenylacetic acid | 4 / 4 | SER A 79GLY A 86GLY A 115LYS A 144 | 1.49A | 15.69 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5AMI_B_EF2B151_1 (CEREBLON ISOFORM 4) | Thalidomide | 4 / 8 | ASN A 49PRO A 152SER A 52TYR A 112 | 1.69A | 22.37 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TKG_C_ROCC901_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.07A | 23.13 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VOO_E_C2FE3001_0 (5-METHYLTETRAHYDROFOLATE HOMOCYSTEINES-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | GLU A 119GLY A 117LEU A 65GLY A 130ILE A 131 | 1.31A | 16.44 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4FIM_A_CELA711_1 (LACTOTRANSFERRIN) | Celecoxib | 5 / 9 | GLU A 129PRO A 107PRO A 169GLU A 63GLY A 61 | 1.70A | 18.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5B6I_A_ADNA302_1 (FLUORINASE) | Adenosine | 4 / 7 | TRP A 109THR A 58THR A 92SER A 106 | 1.64A | 21.81 | NoneNoneNoneEDO A 638 (-3.3A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TBG_D_RTZD2_1 (CYTOCHROME P450 2D6) | Thioridazine | 5 / 9 | PHE A 67LEU A 160THR A 55LEU A 168THR A 58 | 1.60A | 14.50 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3CSJ_B_CBLB211_0 (GLUTATHIONES-TRANSFERASE P) | Chlorambucil | 5 / 9 | PRO A 74VAL A 73ILE A -3TYR A 124GLY A 86 | 1.56A | 21.03 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 1UNJ_F_DVAF8_0 (7-AMINO-ACTINOMYCIND) | L-Valine | 3 / 3 | THR A 167THR A 166PRO A 68 | 1.46A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3EL4_A_ROCA100_1 (PROTEASE) | Saquinavir | 6 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163VAL A 73 | 1.43A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Q5K_A_AB1A201_2 (PROTEASE) | Lopinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.24A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4E1G_A_LNLA701_1 (PROSTAGLANDIN G/HSYNTHASE 2) | Alpha-Linolenic Acid | 5 / 12 | PHE A 54PHE A 111TYR A 113GLY A 86ALA A 135 | 1.28A | 13.65 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4NJV_A_RITA500_1 (PROTEASE) | Ritonavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.10A | 25.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDX_A_RITA100_2 (PROTEASE) | Ritonavir | 6 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134ILE A 85 | 1.71A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2OKC_B_SAMB500_0 (TYPE I RESTRICTIONENZYME STYSJI MPROTEIN) | S-Adenosylmethionine | 5 / 12 | ILE A 147ALA A 51GLY A 117GLY A 148ARG A 93 | 1.37A | 18.60 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDT_D_ROCD100_2 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.02A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KW0_A_H4BA429_1 (PHENYLALANINE-4-HYDROXYLASE) | Sapropterin | 5 / 12 | LEU A 140LEU A 114GLU A 137HIS A -1TYR A 124 | 1.52A | 15.96 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3M6V_A_SAMA465_0 (RRNA METHYLASE) | S-Adenosylmethionine | 5 / 12 | PRO A 81GLY A 80VAL A 134PRO A 163LEU A 162 | 1.49A | 13.91 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5FHZ_C_REAC602_1 (ALDEHYDEDEHYDROGENASE FAMILY1 MEMBER A3) | Tretinoin | 5 / 10 | GLY A 72LEU A 162PHE A 54LEU A 57LEU A 168 | 1.50A | 13.73 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3G0F_B_B49B9001_1 (MAST/STEM CELLGROWTH FACTORRECEPTOR) | Sunitinib | 5 / 10 | VAL A 134ALA A 135THR A 136GLY A 115PHE A 111 | 1.59A | 16.62 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5HFJ_G_SAMG301_0 (ADENINE SPECIFIC DNAMETHYLTRANSFERASE(DPNA)) | S-Adenosylmethionine | 5 / 12 | THR A 149GLY A 115SER A 121GLU A 119TYR A 87 | 1.52A | 16.74 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5X2S_I_PEMI202_1 (HEMOGLOBIN SUBUNITALPHAHEMOGLOBIN SUBUNITBETA) | Bezafibrate | 4 / 8 | PRO A 74THR A 136TYR A 113PRO A 68 | 1.66A | 19.7521.25 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2F81_A_017A302_1 (POL POLYPROTEIN) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.08A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3EM6_A_017A200_1 (PROTEASE) | Darunavir | 5 / 8 | GLY A 138ALA A 139ASP A 82ASP A 83VAL A 134 | 1.51A | 23.24 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3JQ7_B_DX2B271_1 (PTERIDINE REDUCTASE1) | Triamterene | 4 / 8 | SER A 79TYR A 113LEU A 162PRO A 163 | 1.56A | 21.03 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1RJD_A_SAMA801_0 (CARBOXY METHYLTRANSFERASE FORPROTEIN PHOSPHATASE2A CATALYTIC SUBUNIT) | S-Adenosylmethionine | 5 / 12 | ILE A 147GLY A 115GLY A 117LEU A 114TYR A 113 | 1.43A | 16.42 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5Y80_A_IREA401_0 (CYCLIN-G-ASSOCIATEDKINASE) | Gefitinib | 5 / 12 | LEU A 162ALA A 174LEU A 168GLY A 165GLN A 164 | 1.37A | 17.04 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OU6_B_SAMB300_0 (SAM-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | LEU A 114TYR A 113GLY A 148GLY A 115ALA A 51 | 1.24A | 19.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 13GS_A_SASA211_1 (GLUTATHIONES-TRANSFERASE) | Sulfasalazine | 5 / 10 | PRO A 74VAL A 73ILE A -3TYR A 124GLY A 86 | 1.54A | 21.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6AG0_C_ACRC607_0 (ALPHA-AMYLASE) | Acarbose | 4 / 6 | GLY A 86TRP A 133GLY A 115PRO A 143 | 1.37A | 13.52 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VOO_B_C2FB702_0 (5-METHYLTETRAHYDROFOLATE HOMOCYSTEINES-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | GLU A 119GLY A 117LEU A 65GLY A 130ILE A 131 | 1.27A | 16.44 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1JU6_C_LYAC315_1 (THYMIDYLATE SYNTHASE) | Pemetrexed | 5 / 10 | ILE A 147LEU A 114GLY A 115TYR A 124ALA A 135 | 1.75A | 18.31 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2AQU_B_DR7B300_1 (HIV-1 PROTEASE) | Atazanavir | 5 / 10 | GLY A 138ALA A 139ASP A 82VAL A 134ILE A 85 | 1.48A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3SO9_A_017A100_1 (HIV-1 PROTEASE) | Darunavir | 4 / 8 | GLY A 138ALA A 139ASP A 82ASP A 83 | 1.03A | 23.57 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3LZS_A_017A200_1 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.06A | 24.82 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2IEO_A_017A402_1 (PROTEASE) | Darunavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.22A | 23.53 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 1A7Y_A_DVAA8_0 (ACTINOMYCIN D) | L-Valine | 3 / 3 | THR A 167THR A 166PRO A 68 | 1.43A | 40.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VCG_A_08YA602_2 (CYTOCHROME P450 3A4) | Bromocriptine | 3 / 3 | ARG A 93ARG A 94ARG A 90 | 1.51A | 13.55 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5VEU_B_RITB602_1 (CYTOCHROME P450 3A5) | Ritonavir | 5 / 12 | LEU A 160PHE A 67PHE A 172ALA A 91GLY A 130 | 1.35A | 15.00 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NDU_A_ROCA101_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.05A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3TTP_A_017A201_1 (HIV-1 PROTEASE) | Darunavir | 5 / 10 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.11A | 26.76 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4HLA_A_017A200_2 (PROTEASE) | Darunavir | 5 / 11 | GLY A 138ALA A 139ASP A 82ASP A 83PRO A 163 | 1.11A | 23.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6HIS_A_TKTA508_0 (5-HYDROXYTRYPTAMINERECEPTOR 3A) | Tropisetron | 4 / 8 | ASP A 83ILE A 147TRP A 53ASN A 155 | 1.26A | 14.03 | None |