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| PDB ID: 2bx3 Macromolecule: MAIN PROTEINASE Source Organism: SARS-COV Sin2774 Gene names: - UniProt ID: P0C6X7 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2bx3'
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. | 1D4S_A_TPVA201_1 (PROTEIN (HIV-1PROTEASE)) | Tipranavir | 5 / 10 | LEU A 30VAL A 114ILE A 136GLY A 174PHE A 159 | 1.36A | 17.48 | 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. | 1YA3_B_STRB2001_2 (MINERALOCORTICOIDRECEPTOR) | Progesterone | 3 / 3 | LEU A 208LEU A 282MET A 276 | 1.28A | 22.60 | 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. | 6MA7_A_TPFA602_0 (CYTOCHROME P450 3A4) | Fluconazole | 4 / 7 | ALA A 255THR A 257ILE A 259ALA A 260 | 1.32A | 22.11 | 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. | 2H4J_A_NCAA1002_0 (NAD-DEPENDENTDEACETYLASE) | Nicotinamide | 4 / 5 | ALA A 267ILE A 259ASN A 221ASP A 263 | 1.77A | 21.50 | 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. | 4DF3_A_SAMA301_1 (FIBRILLARIN-LIKERRNA/TRNA2'-O-METHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | TYR A 37THR A 35GLU A 178 | 1.51A | 21.20 | 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 230LEU A 205LEU A 250GLU A 270 | 1.42A | 17.45 | 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. | 1ZLQ_A_ACTA1502_0 (NICKEL-BINDINGPERIPLASMIC PROTEIN) | Acetic acid | 4 / 5 | TRP A 218GLY A 275ASN A 277GLY A 278 | 1.53A | 20.28 | 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. | 5F9Z_A_HFGA702_0 (AMINOACYL-TRNASYNTHETASE) | Halofuginone | 5 / 12 | LEU A 86GLY A 29PRO A 39SER A 65GLY A 23 | 1.57A | 21.06 | 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. | 4OU1_A_BEZA302_0 (RETRO-ALDOLASE,DESIGN RA114) | Benzoic Acid | 4 / 8 | TYR A 209ILE A 259ASN A 221ALA A 267 | 1.07A | 19.87 | 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 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.34A | 18.02 | 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. | 4L4E_A_CAMA503_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 8 | THR A 225THR A 243LEU A 262VAL A 247 | 1.26A | 20.80 | 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. | 4QZT_A_RTLA201_1 (RETINOL-BINDINGPROTEIN 2) | Vitamin A | 3 / 3 | PHE A 291THR A 257LEU A 282 | 1.12A | 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. | 4EXS_B_X8ZB301_1 (BETA-LACTAMASE NDM-1) | Captopril | 4 / 8 | VAL A 36HIS A 80CYH A 22ASN A 63 | 1.69A | 20.54 | 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. | 2XKW_A_P1BA1478_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Pioglitazone | 5 / 12 | CYH A 145SER A 144MET A 49HIS A 172TYR A 126 | 1.66A | 22.57 | 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. | 3NDU_D_ROCD100_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.29A | 17.53 | 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. | 2IEO_A_017A402_1 (PROTEASE) | Darunavir | 5 / 12 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.33A | 14.29 | 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. | 3TBG_C_RTZC2_1 (CYTOCHROME P450 2D6) | Thioridazine | 5 / 10 | THR A 225LEU A 227THR A 243VAL A 247VAL A 204 | 1.48A | 22.34 | 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. | 2IDK_A_C2FA1410_0 (GLYCINEN-METHYLTRANSFERASE) | Levomefolic acid | 5 / 11 | THR A 280LEU A 271MET A 276LEU A 208MET A 264 | 1.67A | 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. | 3IK6_B_HCZB262_1 (GLUTAMATE RECEPTOR 2) | Hydrochlorothiazide | 5 / 10 | SER A 121SER A 144GLY A 120SER A 123LEU A 30 | 1.69A | 20.38 | 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. | 3HLW_B_CE3B302_1 (CTX-M-9EXTENDED-SPECTRUMBETA-LACTAMASE) | Cefotaxime | 5 / 12 | ASN A 119TYR A 118SER A 123SER A 147GLY A 146 | 1.41A | 20.87 | 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. | 5HRQ_G_IPHG101_0 (INSULIN A-CHAININSULIN B-CHAIN) | Phenol | 4 / 6 | LEU A 58CYH A 38HIS A 80LEU A 89 | 1.29A | 8.716.82 | 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. | 3EKT_B_017B200_1 (PROTEASE) | Darunavir | 5 / 9 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.45A | 17.83 | 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. | 2QD2_A_CHDA2_0 (FERROCHELATASE) | Cholic Acid | 4 / 8 | LEU A 141PRO A 122SER A 121VAL A 13 | 1.53A | 20.74 | 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. | 1HXW_B_RITB301_1 (HIV-1 PROTEASE) | Ritonavir | 5 / 9 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.33A | 16.78 | 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. | 2HC4_A_VDXA525_1 (VITAMIN D RECEPTOR) | Calcitriol | 5 / 12 | LEU A 27CYH A 22VAL A 18LEU A 32LEU A 115 | 1.34A | 20.82 | 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. | 2W3M_A_FOLA1188_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 200LEU A 242GLN A 107ILE A 249THR A 198 | 1.37A | 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. | 2HZQ_A_STRA300_1 (APOLIPOPROTEIN D) | Progesterone | 4 / 7 | THR A 257ALA A 266ASN A 221LEU A 262 | 1.52A | 19.87 | 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 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.33A | 17.13 | 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. | 4AN2_A_EUIA1382_1 (DUAL SPECIFICITYMITOGEN-ACTIVATEDPROTEIN KINASEKINASE 1) | Cobimetinib | 5 / 12 | LEU A 287ILE A 281ASN A 221VAL A 204GLY A 258 | 1.23A | 19.58 | 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. | 5AXA_A_ADNA502_2 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 4 / 5 | GLU A 270THR A 224HIS A 246LEU A 205 | 1.58A | 21.28 | 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. | 5MO4_A_NILA601_2 (TYROSINE-PROTEINKINASE ABL1) | Nilotinib | 5 / 12 | ILE A 281LEU A 208ILE A 213LEU A 253ALA A 206 | 1.33A | 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. | 2XPW_A_OTCA222_1 (TETRACYCLINEREPRESSOR PROTEINCLASS D) | Oxytetracycline | 5 / 12 | LEU A 87PHE A 66HIS A 80ARG A 60SER A 65 | 1.60A | 20.49 | 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. | 2YLG_A_ASCA130_0 (CYTOCHROME C') | Vitamin C | 4 / 5 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.49A | 16.61 | 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. | 2O4N_A_TPVA300_1 (PROTEASE) | Tipranavir | 5 / 12 | LEU A 253ALA A 210ASP A 216ILE A 281LEU A 250 | 1.46A | 18.18 | 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. | 4O8F_A_BRLA501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Rosiglitazone | 5 / 12 | CYH A 145SER A 144MET A 49HIS A 172TYR A 126 | 1.63A | 20.91 | 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. | 2JJP_A_KLNA413_1 (CYTOCHROME P450113A1) | Ketoconazole | 5 / 12 | HIS A 172MET A 17PRO A 122ALA A 173PHE A 112 | 1.54A | 23.68 | 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. | 1DLS_A_MTXA188_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | ILE A 200PHE A 291GLN A 127SER A 284TYR A 239 | 1.52A | 17.55 | 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. | 4MMC_A_29JA604_1 (TRANSPORTER) | Desvenlafaxine | 4 / 7 | ARG A 217ILE A 281LEU A 208THR A 257 | 1.29A | 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. | 5VOO_B_C2FB702_0 (5-METHYLTETRAHYDROFOLATE HOMOCYSTEINES-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | GLU A 290GLY A 109LEU A 167GLY A 138PHE A 112 | 1.40A | 22.26 | 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. | 4BKJ_A_STIA1000_1 (EPITHELIAL DISCOIDINDOMAIN-CONTAININGRECEPTOR 1) | Imatinib | 5 / 12 | VAL A 212ALA A 211LEU A 271ALA A 267ASP A 263 | 1.41A | 22.95 | 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. | 3PWM_B_017B402_2 (PROTEASE) | Darunavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.33A | 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. | 3OZU_A_X89A411_1 (FLAVOHEMOPROTEIN) | Miconazole | 5 / 12 | ALA A 234VAL A 204LEU A 250ALA A 210TYR A 209 | 1.32A | 21.40 | 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. | 2PYM_A_1UNA1001_2 (PROTEASE RETROPEPSIN) | Nelfinavir | 5 / 12 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.34A | 19.37 | 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. | 6BEC_C_RBTC601_1 (SCAFFOLD PROTEIN D13) | Rifabutin | 5 / 12 | VAL A 20GLU A 178PHE A 103VAL A 114ILE A 136 | 1.62A | 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. | 6BOC_C_RIMC101_0 (MATRIX PROTEIN 2) | Rimantadine | 4 / 6 | SER A 144SER A 121ALA A 116SER A 123 | 1.43A | 6.00 | 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. | 3N8X_A_NIMA701_2 (PROSTAGLANDIN G/HSYNTHASE 1) | Nimesulide | 3 / 3 | VAL A 114SER A 147LEU A 141 | 1.07A | 18.41 | 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. | 4HWK_B_SFYB806_0 (SEPIAPTERINREDUCTASE) | Sulfapyridine | 5 / 11 | LEU A 253SER A 301CYH A 300PHE A 3ALA A 206 | 1.73A | 23.87 | 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. | 2BXP_A_P1ZA3001_1 (SERUM ALBUMIN) | Phenylbutazone | 6 / 12 | LEU A 208PHE A 219LEU A 205ALA A 260ILE A 259ALA A 266 | 1.46A | 18.70 | 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. | 2OAX_D_SNLD4001_1 (MINERALOCORTICOIDRECEPTOR) | Spironolactone | 5 / 12 | LEU A 220ASN A 221LEU A 268ALA A 266LEU A 250 | 1.52A | 22.29 | 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. | 4ZXI_A_GLYA1402_0 (TYROCIDINESYNTHETASE 3) | Glycine | 4 / 7 | ILE A 281GLY A 275THR A 285TRP A 218 | 1.57A | 12.65 | 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. | 3VYW_B_SAMB401_0 (MNMC2) | S-Adenosylmethionine | 5 / 12 | LEU A 208ASN A 221PHE A 230ASN A 231LEU A 227 | 1.61A | 21.47 | 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. | 4O8F_B_BRLB501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Rosiglitazone | 5 / 12 | CYH A 145SER A 144MET A 49HIS A 172TYR A 126 | 1.56A | 20.91 | 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. | 3HZN_G_ACTG225_0 (OXYGEN-INSENSITIVENAD(P)HNITROREDUCTASE) | Acetic acid | 3 / 3 | PRO A 252LEU A 253GLN A 256 | 1.18A | 22.50 | 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. | 5Y7P_E_CHDE401_0 (BILE SALT HYDROLASE) | Cholic Acid | 5 / 8 | TYR A 209ILE A 213LEU A 271ALA A 267LEU A 220 | 1.61A | 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. | 5XV7_A_EMHA705_1 (SERINE-ARGININE (SR)PROTEIN KINASE 1) | Alectinib | 5 / 12 | LEU A 141GLY A 138ALA A 116GLY A 149ALA A 7 | 1.23A | 20.79 | 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. | 4DQC_A_017A101_2 (ASPARTYL PROTEASE) | Darunavir | 5 / 9 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.49A | 18.73 | 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. | 3U7S_A_017A202_1 (POL POLYPROTEIN) | Darunavir | 5 / 9 | LEU A 205ALA A 211ASP A 216ILE A 286LEU A 268 | 1.51A | 16.43 | 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. | 3VKX_A_T3A301_1 (PROLIFERATING CELLNUCLEAR ANTIGEN) | Liothyronine | 4 / 6 | LEU A 250PRO A 252GLN A 256TYR A 209 | 1.72A | 22.82 | 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. | 1P2Y_A_NCTA440_1 (CYTOCHROME P450-CAM) | Nicotine | 5 / 7 | LEU A 30VAL A 18GLY A 29ASP A 33VAL A 91 | 1.57A | 21.20 | 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. | 1Y4L_B_SVRB301_1 (PHOSPHOLIPASE A2HOMOLOG 2) | Suramin | 5 / 12 | LEU A 141GLY A 146LEU A 30GLY A 29TYR A 118 | 1.59A | 19.34 | 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. | 4WH5_A_3QBA204_1 (LINCOSAMIDERESISTANCE PROTEIN) | Lincomycin | 5 / 12 | GLY A 215ASP A 216PHE A 291ILE A 213PHE A 3 | 1.71A | 17.31 | 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. | 2IDK_B_C2FB1420_0 (GLYCINEN-METHYLTRANSFERASE) | Levomefolic acid | 5 / 10 | LEU A 208MET A 264LEU A 271MET A 276THR A 280 | 1.64A | 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. | 2V7U_A_SAMA1299_0 (5'-FLUORO-5'-DEOXYADENOSINE SYNTHETASE) | S-Adenosylmethionine | 4 / 8 | ASP A 263ASN A 221SER A 254ALA A 267 | 1.53A | 21.80 | 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. | 2O4S_A_AB1A400_1 (PROTEASE) | Lopinavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.28A | 16.43 | 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. | 5KKL_B_SAMB8009_0 (PUTATIVEUNCHARACTERIZEDPROTEIN,HISTONE H3.1PEPTIDE,ZINC FINGERDOMAIN-CONTAININGPROTEIN) | S-Adenosylmethionine | 5 / 12 | LEU A 27GLY A 29TYR A 37HIS A 163LEU A 141 | 1.45A | 14.33 | 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. | 6EW0_F_TA1F502_1 (TUBULIN BETA CHAIN) | Paclitaxel | 5 / 12 | GLU A 270LEU A 202LEU A 250GLN A 244LEU A 262 | 1.50A | 20.86 | 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. | 3EKP_B_478B200_1 (PROTEASE) | Amprenavir | 5 / 8 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.37A | 17.83 | 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. | 6AY6_A_VORA501_1 (CYP51, STEROL14ALPHA-DEMETHYLASE) | Voriconazole | 5 / 9 | TYR A 209ALA A 267THR A 225LEU A 262LEU A 242 | 1.44A | 18.75 | 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. | 4CIP_A_ASCA130_0 (CYTOCHROME C') | Vitamin C | 4 / 4 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.43A | 16.61 | 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. | 5IWU_A_ACTA402_0 (MACROLIDE2'-PHOSPHOTRANSFERASE II) | Acetic acid | 4 / 6 | VAL A 114TYR A 126MET A 130ILE A 136 | 1.29A | 20.42 | 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. | 4MM5_A_SREA603_1 (TRANSPORTER) | Sertraline | 5 / 9 | ASP A 216VAL A 296ALA A 206GLY A 2PHE A 3 | 1.50A | 20.19 | 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. | 3MTE_B_SAMB220_0 (16S RRNA METHYLASE) | S-Adenosylmethionine | 5 / 12 | GLY A 258VAL A 212ALA A 267ALA A 266GLU A 270 | 1.34A | 23.15 | 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. | 4QWP_B_GCSB305_1 (CHITOSANASE) | Glucosamine | 3 / 3 | GLY A 251PRO A 252GLN A 256 | 1.14A | 23.91 | 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. | 5Z6F_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 106PHE A 112THR A 135ILE A 136THR A 292 | 1.69A | 19.46 | 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. | 5LSU_B_SAMB1304_1 (HISTONE-LYSINEN-METHYLTRANSFERASENSD2) | S-Adenosylmethionine | 3 / 3 | ASN A 142TYR A 118CYH A 145 | 1.10A | 21.76 | 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. | 2BXG_B_IBPB2002_1 (SERUM ALBUMIN) | Ibuprofen | 5 / 10 | ALA A 206LEU A 271ALA A 267SER A 254LEU A 253 | 1.43A | 18.70 | 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. | 5NFJ_A_SAMA501_0 (MITOCHONDRIALRIBONUCLEASE PPROTEIN 1) | S-Adenosylmethionine | 5 / 12 | ALA A 210ILE A 259LEU A 208LEU A 220MET A 264 | 1.19A | 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. | 3FRQ_A_ERYA195_0 (REPRESSOR PROTEINMPHR(A)) | Erythromycin | 5 / 12 | THR A 111VAL A 296LEU A 282TYR A 239ILE A 281 | 1.39A | 21.04 | 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. | 5VEU_B_RITB602_1 (CYTOCHROME P450 3A5) | Ritonavir | 5 / 12 | LEU A 141ILE A 136ALA A 129THR A 111ALA A 7 | 1.26A | 21.00 | 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. | 5VOP_B_C2FB3001_0 (5-METHYLTETRAHYDROFOLATE HOMOCYSTEINES-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | ASN A 238LYS A 236ASP A 197VAL A 171GLY A 195 | 1.52A | 22.26 | 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. | 4OLT_A_GCSA302_1 (CHITOSANASE) | Glucosamine | 4 / 5 | ARG A 88THR A 35ASP A 33TYR A 101 | 1.60A | 23.91 | 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. | 1WRL_D_TFPD207_1 (TROPONIN C, SLOWSKELETAL AND CARDIACMUSCLES) | Trifluoperazine | 4 / 8 | SER A 10LEU A 141MET A 17SER A 121 | 1.30A | 13.29 | 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. | 2OAX_E_SNLE5001_1 (MINERALOCORTICOIDRECEPTOR) | Spironolactone | 5 / 12 | LEU A 220ASN A 221LEU A 268ALA A 266LEU A 250 | 1.53A | 22.29 | 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. | 4DQF_B_017B101_2 (ASPARTYL PROTEASE) | Darunavir | 5 / 10 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.29A | 18.73 | 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. | 5JLI_A_ASCA202_0 (CYTOCHROME C') | Vitamin C | 4 / 5 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.44A | 16.61 | 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. | 5JT4_A_ASCA202_0 (CYTOCHROME C') | Vitamin C | 4 / 5 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.48A | 16.72 | 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. | 3NUO_B_478B478_2 (PROTEASE) | Amprenavir | 5 / 9 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.47A | 14.29 | 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. | 3NDT_D_ROCD100_1 (PROTEASE) | Saquinavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.28A | 17.53 | 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. | 3E23_A_SAMA221_0 (UNCHARACTERIZEDPROTEIN RPA2492) | S-Adenosylmethionine | 5 / 12 | PHE A 185GLY A 143LEU A 141LEU A 167HIS A 164 | 1.39A | 20.45 | 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. | 5XIQ_A_HFGA1002_0 (PROLYL-TRNASYNTHETASE (PRORS)) | Halofuginone | 5 / 12 | LEU A 272GLU A 240HIS A 246THR A 111GLY A 109 | 1.74A | 19.56 | 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. | 2IEN_B_017B402_2 (PROTEASE) | Darunavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.28A | 18.02 | 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. | 6BQ4_B_ADNB401_1 (THERMOSPERMINESYNTHASE ACAULISPROTEIN) | Adenosine | 5 / 12 | ILE A 281ASP A 216VAL A 212LEU A 268ALA A 267 | 1.42A | 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. | 5ESE_A_TPFA602_1 (LANOSTEROL 14-ALPHADEMETHYLASE) | Fluconazole | 5 / 8 | TYR A 209LEU A 208ILE A 213GLY A 215LEU A 220 | 1.67A | 17.44 | 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. | 1MMT_A_H4BA1426_1 (PHENYLALANINE-4-HYDROXYLASE) | Sapropterin | 5 / 11 | VAL A 42LEU A 27SER A 147LEU A 141TYR A 161 | 1.67A | 20.80 | 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. | 3PWM_B_017B402_1 (PROTEASE) | Darunavir | 5 / 12 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.37A | 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. | 3GYQ_A_SAMA270_0 (RRNA(ADENOSINE-2'-O-)-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | LEU A 141GLY A 143SER A 123LEU A 115SER A 147 | 1.41A | 20.13 | 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. | 1MUO_A_ADNA1_1 (AURORA-RELATEDKINASE 1) | Adenosine | 5 / 9 | LEU A 282GLY A 283ALA A 211LEU A 271LEU A 287 | 1.51A | 20.90 | 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. | 1YA3_A_STRA1001_1 (MINERALOCORTICOIDRECEPTOR) | Progesterone | 5 / 12 | LEU A 220ASN A 221LEU A 268ALA A 266LEU A 250 | 1.47A | 22.60 | 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. | 3D20_A_017A201_2 (HIV-1 PROTEASE) | Darunavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.29A | 16.26 | 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. | 2V57_A_PRLA1188_0 (TETR FAMILYTRANSCRIPTIONALREPRESSOR LFRR) | Proflavine | 4 / 8 | HIS A 172SER A 144ASN A 142TYR A 161 | 1.71A | 20.62 | 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. | 3JWQ_B_VIAB901_1 (CGMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASECATALYTIC DOMAIN,CONE CGMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASESUBUNIT ALPHACHIMERA) | Sildenafil | 5 / 11 | TYR A 161HIS A 163ASN A 142LEU A 167THR A 169 | 1.47A | 22.07 | 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. | 1L5R_A_RBFA859_1 (GLYCOGENPHOSPHORYLASE, LIVERFORM) | Riboflavin | 5 / 11 | PHE A 140HIS A 172ALA A 116GLY A 124TYR A 126 | 1.55A | 16.53 | 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. | 5A5Z_A_WJZA304_0 (BETA-LACTAMASE NDM-1) | Tiopronin | 4 / 8 | VAL A 36HIS A 80CYH A 22ASN A 63 | 1.65A | 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. | 1MXD_A_ACRA733_1 (ALPHA AMYLASE) | Acarbose | 4 / 6 | THR A 224ASN A 221LEU A 220ASP A 263 | 1.66A | 19.91 | 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. | 1IEP_B_STIB202_2 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL) | Imatinib | 4 / 7 | VAL A 296VAL A 261ILE A 249LEU A 262 | 1.24A | 21.49 | 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. | 4K37_B_SAMB504_0 (ANAEROBICSULFATASE-MATURATINGENZYME) | S-Adenosylmethionine | 5 / 11 | TYR A 209GLU A 270ASN A 221LEU A 262LEU A 202 | 1.60A | 18.78 | 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. | 2AQU_B_DR7B300_1 (HIV-1 PROTEASE) | Atazanavir | 5 / 10 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.38A | 16.43 | 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. | 6AYB_A_KKKA508_1 (CYP51, STEROL14ALPHA-DEMETHYLASE) | Ketoconazole | 5 / 12 | TYR A 209ALA A 267THR A 225LEU A 262LEU A 242 | 1.37A | 18.75 | 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. | 3RGF_A_BAXA465_2 (CYCLIN-DEPENDENTKINASE 8) | Sorafenib | 4 / 7 | LEU A 27VAL A 42LEU A 167ASP A 187 | 1.27A | 20.80 | 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. | 2V0M_C_KLNC1498_1 (CYTOCHROME P450 3A4) | Ketoconazole | 5 / 12 | LEU A 271LEU A 272ALA A 266THR A 225GLU A 240 | 1.52A | 22.11 | 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. | 4XI3_B_29SB601_2 (ESTROGEN RECEPTOR) | Bazedoxifene | 4 / 5 | LEU A 272GLU A 270MET A 264LEU A 205 | 1.52A | 21.91 | 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. | 1RJD_A_SAMA801_0 (CARBOXY METHYLTRANSFERASE FORPROTEIN PHOSPHATASE2A CATALYTIC SUBUNIT) | S-Adenosylmethionine | 5 / 12 | ILE A 213GLN A 256THR A 257ALA A 260GLY A 251 | 1.55A | 19.95 | 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. | 1HXW_B_RITB301_2 (HIV-1 PROTEASE) | Ritonavir | 5 / 11 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.42A | 16.78 | 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. | 6EW0_G_TA1G501_1 (TUBULIN BETA CHAIN) | Paclitaxel | 5 / 12 | GLU A 270LEU A 202LEU A 250GLN A 244LEU A 262 | 1.50A | 20.86 | 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. | 2XYT_B_TC9B1206_1 (SOLUBLEACETYLCHOLINERECEPTOR) | Tubocurarine | 5 / 11 | SER A 139TYR A 161TYR A 182TYR A 126SER A 147 | 1.65A | 22.90 | 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. | 6BOC_A_EU7A102_0 (MATRIX PROTEIN 2) | Rimantadine | 4 / 6 | SER A 144SER A 121ALA A 116SER A 123 | 1.43A | 6.00 | 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. | 3HLW_A_CE3A301_1 (CTX-M-9EXTENDED-SPECTRUMBETA-LACTAMASE) | Cefotaxime | 5 / 12 | ASN A 119TYR A 118SER A 123SER A 147GLY A 146 | 1.41A | 20.87 | 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. | 5DBY_A_ACTA617_0 (SERUM ALBUMIN) | Acetic acid | 3 / 3 | TRP A 218ARG A 279LEU A 287 | 1.49A | 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. | 3GVU_A_STIA1002_1 (TYROSINE-PROTEINKINASE ABL2) | Imatinib | 5 / 8 | ALA A 206VAL A 204LEU A 202LEU A 205VAL A 261 | 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. | 4FEX_B_KANB301_1 (AMINOGLYCOSIDE3'-PHOSPHOTRANSFERASE APHA1-IAB) | Kanamycin | 4 / 7 | ASP A 197ASN A 203GLU A 290GLU A 240 | 1.75A | 22.96 | 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. | 4ZBQ_A_ACTA605_0 (SERUM ALBUMIN) | Acetic acid | 4 / 6 | HIS A 172GLY A 170GLU A 166ASN A 142 | 1.60A | 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. | 3THR_D_C2FD1200_0 (GLYCINEN-METHYLTRANSFERASE) | Levomefolic acid | 5 / 12 | LEU A 208MET A 264LEU A 271MET A 276THR A 280 | 1.74A | 22.49 | 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. | 5JSL_A_ASCA202_0 (CYTOCHROME C') | Vitamin C | 4 / 4 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.46A | 16.67 | 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. | 4KLR_A_CHDA504_0 (FERROCHELATASE,MITOCHONDRIAL) | Cholic Acid | 4 / 7 | LEU A 141PRO A 122SER A 121VAL A 13 | 1.59A | 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. | 5IZF_E_AZ1E2_1 (CAMP-DEPENDENTPROTEIN KINASECATALYTIC SUBUNITALPHA6J9-ZEU-DAR-ACA-DAR-NH2) | Azelaic Acid | 4 / 7 | GLY A 138SER A 139PHE A 140GLU A 288 | 0.99A | 18.90 | 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. | 4Y03_A_SALA801_1 (PROTEIN POLYBROMO-1) | Salicylic acid | 4 / 7 | ILE A 259LEU A 205ALA A 267ASN A 221 | 1.11A | 18.48 | 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. | 2F81_A_017A302_1 (POL POLYPROTEIN) | Darunavir | 5 / 12 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.32A | 14.29 | 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. | 4PO0_A_NPSA602_1 (SERUM ALBUMIN) | Naproxen | 5 / 8 | ARG A 222ALA A 267GLY A 275LEU A 271LEU A 208 | 1.30A | 18.41 | 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. | 5IGZ_A_SPRA404_2 (MACROLIDE2'-PHOSPHOTRANSFERASE II) | Spiramycin | 5 / 9 | LEU A 242ILE A 249GLU A 270PHE A 230VAL A 233 | 1.79A | 20.42 | 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. | 2AQU_B_DR7B300_2 (HIV-1 PROTEASE) | Atazanavir | 5 / 11 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.36A | 16.43 | 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. | 4K50_B_ACTB701_0 (RNA (33-MER)RNA POLYMERASE3D-POL) | Acetic acid | 3 / 3 | HIS A 163GLY A 138ILE A 136 | 0.86A | 20.54 | 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. | 5XIQ_D_HFGD1002_0 (PROLYL-TRNASYNTHETASE (PRORS)) | Halofuginone | 5 / 12 | LEU A 272GLU A 240HIS A 246THR A 111GLY A 109 | 1.67A | 19.56 | 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. | 1MUI_B_AB1B100_2 (PROTEASE) | Lopinavir | 5 / 12 | GLY A 215GLY A 258ILE A 259VAL A 296ILE A 213 | 1.25A | 16.43 | 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. | 3EKT_D_017D200_1 (PROTEASE) | Darunavir | 5 / 11 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.39A | 17.83 | 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. | 1E3V_B_DXCB801_0 (STEROIDDELTA-ISOMERASE) | Deoxycholic Acid | 5 / 11 | ASP A 187PHE A 181GLY A 179LEU A 87MET A 165 | 1.61A | 19.21 | 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. | 5ECN_D_LEUD602_0 (JASMONIC ACID-AMIDOSYNTHETASE JAR1) | L-Leucine | 4 / 8 | ILE A 213ALA A 255THR A 257VAL A 297 | 1.30A | 19.17 | 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. | 1TV8_A_SAMA1501_0 (MOLYBDENUM COFACTORBIOSYNTHESIS PROTEINA) | S-Adenosylmethionine | 4 / 7 | TYR A 239THR A 225GLU A 270VAL A 204 | 1.35A | 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. | 1XOM_B_CIOB601_1 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | Cilomilast | 5 / 12 | HIS A 41MET A 162THR A 26SER A 121GLN A 19 | 1.72A | 20.16 | 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. | 6E8Q_A_X2NA602_0 (LANOSTEROL 14-ALPHADEMETHYLASE) | Posaconazole | 5 / 12 | GLY A 258ILE A 286THR A 201LEU A 268PHE A 219 | 1.43A | 17.25 | 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. | 4Z91_E_4LEE401_1 (GAMMA-AMINOBUTYRIC-ACID RECEPTOR SUBUNITBETA-1) | Isoflurane | 6 / 10 | LEU A 242LEU A 227THR A 225LEU A 262THR A 201LEU A 205 | 1.62A | 20.95 | 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. | 6GNG_B_QPSB601_2 (-) | Acarbose | 5 / 12 | GLY A 143LEU A 141GLY A 15PRO A 99PRO A 39 | 1.44A | 18.78 | 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. | 3A50_D_VD3D2001_1 (VITAMIN DHYDROXYLASE) | Cholecalciferol | 5 / 12 | PRO A 293LEU A 250ALA A 266THR A 225LEU A 227 | 1.40A | 21.32 | 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. | 5YCN_A_8LXA501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Lobeglitazone | 4 / 6 | CYH A 145SER A 144HIS A 172TYR A 126 | 1.58A | 21.60 | 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. | 3G4L_D_ROFD904_0 (CAMP-SPECIFIC3',5'-CYCLICPHOSPHODIESTERASE 4D) | Roflumilast | 5 / 12 | HIS A 41MET A 162THR A 26SER A 121GLN A 19 | 1.68A | 21.23 | 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. | 4L4F_A_CAMA503_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 8 | THR A 225THR A 243LEU A 262VAL A 247 | 1.24A | 20.80 | 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. | 3QXT_B_MTXB2000_1 (ANTI-METHOTREXATECDR1-3 GRAFT VHH) | Methotrexate | 5 / 12 | VAL A 171LEU A 167ALA A 173VAL A 186ALA A 193 | 1.50A | 18.86 | 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. | 2YLD_A_ASCA130_0 (CYTOCHROME C') | Vitamin C | 4 / 5 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.43A | 16.61 | 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. | 1KI7_B_ID2B2_0 (THYMIDINE KINASE) | Idoxuridine | 5 / 12 | ILE A 213GLN A 256ALA A 255TYR A 209ARG A 217 | 1.69A | 24.72 | 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. | 5M66_C_ADNC502_2 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 3 / 3 | THR A 225GLU A 270LEU A 208 | 0.75A | 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. | 4LL3_A_017A201_2 (PROTEASE) | Darunavir | 5 / 10 | LEU A 141GLY A 174ALA A 173VAL A 171ILE A 106 | 1.39A | 16.78 | 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. | 1E7A_A_PFLA4001_1 (SERUM ALBUMIN) | Propofol | 5 / 9 | ILE A 281ARG A 222VAL A 212GLY A 215ALA A 211 | 1.39A | 18.70 | 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. | 2OA1_B_ADNB2005_1 (TRYPTOPHANHALOGENASE) | Adenosine | 4 / 7 | GLY A 120VAL A 114SER A 144LEU A 141 | 1.15A | 21.45 | 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. | 3ZWI_A_ASCA156_0 (CYTOCHROME C') | Vitamin C | 4 / 5 | ALA A 173GLY A 143CYH A 145HIS A 41 | 1.43A | 16.61 | None |