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SIMILAR PATTERN OF AMINO ACIDS MAPPED TO UNIPROT ID 'W6A941'
| DrReposER ID / Desc. | Drug | Hit PDBID |
Hit Macromolecule |
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. | 1P6K_A_ACTA860_0 (NITRIC-OXIDESYNTHASE, BRAIN) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | GLY B 278GLN B 280VAL D 159ALA D 103 | 1.29A | 21.36 | 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. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR A 128ASP A 12SER A 100 | 1.31A | 22.88 | 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. | 5WAU_C_CHDC301_0 (CYTOCHROME C OXIDASESUBUNIT 1CYTOCHROME C OXIDASESUBUNIT 3) | Cholic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | HIS A 175ASP D 252HIS A 166LEU D 254 | 1.50A | 18.8921.54 | 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. | 3HJO_B_EAAB211_1 (GLUTATHIONES-TRANSFERASE P) | Etacrynic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | VAL D 131ILE D 160VAL D 13GLY D 152 | 1.27A | 25.46 | 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. | 6A7J_A_TESA502_0 (CYTOCHROME P450) | Testosterone | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PHE C 291LEU C 211ALA C 213ALA C 214 | 1.18A | 22.43 | 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. | 5BMV_C_VLBC507_2 (TUBULIN ALPHA-1BCHAIN) | Vinblastine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PRO D 293VAL D 296ASN D 297ILE D 300 | 0.74A | 21.51 | 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. | 1TDR_A_MTXA170_2 (TELLUROMETHIONYLDIHYDROFOLATEREDUCTASE) | Methotrexate | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | SER D 250ILE B 215THR D 107 | 1.32A | 17.91 | 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. | 5KM8_B_L8PB201_1 (HISTIDINE TRIADNUCLEOTIDE-BINDINGPROTEIN 2,MITOCHONDRIAL) | Cidofovir | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | TRP D 236GLN D 270ALA D 239GLN D 241 | 1.34A | 19.43 | 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. | 4OGR_A_ADNA401_1 (CYCLIN-DEPENDENTKINASE 9) | Adenosine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ILE B 281GLY D 157ALA B 214ASN D 161 | 1.10A | 20.94 | 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. | 2PGR_A_DCFA501_2 (ADENOSINE DEAMINASE) | Pentostatin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | LEU D 266LEU D 287PHE D 245 | 1.26A | 20.21 | 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. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR C 285ASP D 289SER D 204 | 1.25A | 22.88 | NoneEDO D 403 (-4.1A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3SEL_X_DXCX75_0 (CYTOCHROME C7) | Deoxycholic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ILE D 269LEU D 266PHE D 245GLY D 247 | 1.40A | 14.53 | 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. | 2BM9_A_SAMA301_1 (CEPHALOSPORINHYDROXYLASE CMCI) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | LYS A 257ASP A 295ASN A 297 | 1.43A | 22.65 | 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. | 2W3V_A_TOPA1169_1 (DIHYDROFOLATEREDUCTASE) | Trimethoprim | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | VAL D 251ILE D 269PHE D 245ILE D 262TYR D 212 | 1.47A | 18.57 | 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. | 5VW9_A_NCAA403_0 (FERREDOXIN--NADPREDUCTASE) | Nicotinamide | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | THR C 183GLY C 182ALA C 179GLY C 87 | 0.92A | 20.73 | NoneNoneEDO C 404 ( 4.3A)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. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR A 285ASP B 289SER B 204 | 1.38A | 22.88 | None | ||
 Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 5GWZ_D_010D6_0 (N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDEPEDV MAIN PROTEASE) | Benzyl alcohol | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | MET B 25HIS B 41GLY B 146 | 0.47A | 46.25 | 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. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ALA B 213THR B 258ASN B 297ILE B 300 | 1.32A | 20.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5U6M_A_SALA503_1 (UDP-GLYCOSYLTRANSFERASE 74F2) | Salicylic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PHE B 188GLN B 197MET B 133THR B 174 | 1.20A | 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. | 5AYF_A_C7HA402_1 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | Cyproheptadine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | TYR B 185GLY B 182TYR B 164GLY B 149 | 1.39A | 21.95 | 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. | 5AYF_A_C7HA402_1 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | Cyproheptadine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | TYR D 185GLY D 182TYR D 164GLY D 149 | 1.38A | 21.95 | 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. | 5JLC_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | GLY A 177THR A 176GLY A 73LEU A 118 | 1.03A | 19.77 | 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. | 1ZQ9_A_SAMA4000_1 (PROBABLEDIMETHYLADENOSINETRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | GLY B 218GLU D 156ASN B 217 | 1.28A | 23.65 | 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. | 4I41_A_MIXA500_2 (SERINE/THREONINE-PROTEIN KINASE PIM-1) | Mitoxantrone | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 4 | LEU A 272LEU A 265GLN A 280GLU A 288 | 1.41A | 20.54 | EDO A 401 ( 4.9A)NoneEDO A 407 (-3.5A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR D 128ASP D 12SER D 100 | 1.06A | 22.88 | 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. | 3HJO_B_EAAB211_1 (GLUTATHIONES-TRANSFERASE P) | Etacrynic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | VAL C 131ILE C 160VAL C 13GLY C 152 | 1.22A | 25.46 | 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. | 3MSS_B_STIB1_2 (TYROSINE-PROTEINKINASE ABL1) | Imatinib | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | TYR C 273VAL C 207ILE C 281ARG C 227 | 1.44A | 21.62 | 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. | 4K50_A_ACTA506_0 (RNA POLYMERASE3D-POL) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | VAL A 4GLY A 2LYS B 140 | 1.27A | 18.74 | 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. | 4OKB_A_198A1002_2 (ANDROGEN RECEPTOR) | Bicalutamide | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | LEU B 57MET B 25LEU B 49VAL B 193 | 1.48A | 20.94 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4YO9_B_ACTB401_0 (3C-LIKE PROTEINASE) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ARG B 134ASP B 200TYR B 202 | 0.32A | 80.72 | 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 | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLY A 127ALA A 119VAL A 151GLY A 123ILE A 72 | 1.33A | 16.44 | NoneNoneNoneEDO A 405 (-3.8A)EDO A 405 (-3.6A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR D 285ASP C 289SER C 204 | 1.29A | 22.88 | 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. | 4XUM_A_IMNA501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Indomethacin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | PHE D 106SER D 178PHE D 162LEU D 30LEU D 89 | 1.48A | 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. | 5BMV_C_VLBC507_2 (TUBULIN ALPHA-1BCHAIN) | Vinblastine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PRO B 293VAL B 296ASN B 297ILE B 300 | 0.52A | 21.51 | 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. | 5BMV_C_VLBC507_2 (TUBULIN ALPHA-1BCHAIN) | Vinblastine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PRO C 293VAL C 296ASN C 297ILE C 300 | 0.37A | 21.51 | 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. | 3HJO_B_EAAB211_1 (GLUTATHIONES-TRANSFERASE P) | Etacrynic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | VAL B 131ILE B 160VAL B 13GLY B 152 | 1.25A | 25.46 | 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. | 4ZDY_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ALA A 179TYR A 164PRO A 39 | 1.38A | 20.63 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ALA D 213THR D 258ASN D 297ILE D 300 | 1.23A | 20.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4R38_A_RBFA201_2 (BLUE-LIGHT-ACTIVATEDHISTIDINE KINASE 2) | Riboflavin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | THR C 101LEU C 30VAL C 68LEU C 78 | 1.17A | 17.28 | 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. | 5VW9_A_NCAA403_0 (FERREDOXIN--NADPREDUCTASE) | Nicotinamide | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | THR A 183GLY A 182ALA A 179GLY A 87 | 1.10A | 20.73 | 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. | 4ZDY_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ALA B 179TYR B 164PRO B 39 | 1.39A | 20.63 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2QX6_B_ML1B233_1 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) | Melatonin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | GLY A 152GLY A 177PHE A 143PHE A 129 | 1.15A | 21.38 | 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. | 2QX6_B_ML1B233_1 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) | Melatonin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | GLY B 152GLY B 177PHE B 143PHE B 129 | 1.13A | 21.38 | 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. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | GLY B 173GLU B 169ALA B 171GLN B 197 | 1.25A | 20.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1WPU_A_HISA2001_0 (HUT OPERON POSITIVEREGULATORY PROTEIN) | L-Histidine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | ARG C 124ILE C 72GLY C 73ALA C 74 | 1.07A | 20.14 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4XUM_A_IMNA501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Indomethacin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | PHE B 106SER B 178PHE B 162LEU B 30LEU B 89 | 1.47A | 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. | 6FGC_A_ACTA810_0 (GEPHYRIN) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | LEU A 92SER A 67PHE A 66 | 1.00A | 21.56 | 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. | 4R38_A_RBFA201_2 (BLUE-LIGHT-ACTIVATEDHISTIDINE KINASE 2) | Riboflavin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | THR A 101LEU A 30VAL A 68LEU A 78 | 1.23A | 17.28 | 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. | 5VW9_A_NCAA403_0 (FERREDOXIN--NADPREDUCTASE) | Nicotinamide | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | THR B 183GLY B 182ALA B 179GLY B 87 | 1.03A | 20.73 | 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. | 1YVP_A_ACTA2001_0 (60-KDA SS-A/RORIBONUCLEOPROTEIN) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | TYR C 153SER D 10SER C 10THR D 128 | 1.43A | 20.32 | 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. | 4ZJZ_A_BEZA1001_0 (BENZOATE-COENZYME ALIGASE) | Benzoic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | PRO D 293VAL D 208PHE D 245GLY D 247 | 0.65A | 20.34 | 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. | 2QX6_B_ML1B233_1 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) | Melatonin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | GLY C 152GLY C 177PHE C 143PHE C 129 | 1.15A | 21.38 | 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. | 4WBO_A_ANWA601_0 (RHODOPSIN KINASE) | Amlexanox | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | ALA D 268ILE D 269VAL D 251ALA D 255 | 1.40A | 19.32 | EDO D 401 ( 4.1A)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. | 3MSS_B_STIB1_2 (TYROSINE-PROTEINKINASE ABL1) | Imatinib | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | TYR D 273VAL D 207ILE D 281ARG D 227 | 1.27A | 21.62 | 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. | 4PGF_A_ADNA502_2 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | THR C 26THR C 21THR A 243LEU A 198 | 1.35A | 21.41 | 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. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | GLY A 173GLU A 169ALA A 171GLN A 197 | 1.03A | 20.39 | NoneEDO A 404 (-3.7A)EDO A 404 (-4.9A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3SEL_X_DXCX75_0 (CYTOCHROME C7) | Deoxycholic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ILE B 269LEU B 266PHE B 245GLY B 247 | 1.37A | 14.53 | 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. | 5TL8_A_X2NA502_1 (PROTEIN CYP51) | Posaconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | ALA A 84PHE A 106ALA A 15MET A 165THR A 93 | 1.45A | 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. | 2AVS_B_MK1B902_3 (POL POLYPROTEIN) | Indinavir | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | ASP A 181GLY A 182ALA A 179VAL A 109GLY A 177 | 1.47A | 15.17 | 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. | 5KM8_B_L8PB201_1 (HISTIDINE TRIADNUCLEOTIDE-BINDINGPROTEIN 2,MITOCHONDRIAL) | Cidofovir | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | TRP C 236GLN C 270ALA C 239GLN C 241 | 1.36A | 19.43 | 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. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR C 128ASP C 12SER C 100 | 1.13A | 22.88 | 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. | 1X8V_A_ESLA472_1 (CYTOCHROME P450 51) | Estriol | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | MET C 85LEU C 90PHE C 66MET C 43 | 1.49A | 20.36 | 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. | 5OJ0_A_9WTA801_0 (PENICILLIN-BINDINGPROTEIN 2X) | Cefepime | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | THR C 88SER C 178GLY C 177THR C 176GLN C 197 | 1.34A | 17.71 | 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. | 4EAT_A_BEZA1000_0 (BENZOATE-COENZYME ALIGASE) | Benzoic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | ALA D 209TYR D 212ALA D 255ILE D 262 | 1.20A | 20.34 | 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. | 2NXE_A_SAMA302_1 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | THR B 128ASP B 12SER B 100 | 1.03A | 22.88 | 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. | 5J6H_A_NCAA402_0 (H-2 CLASS IHISTOCOMPATIBILITYANTIGEN, Q10 ALPHACHAIN) | Nicotinamide | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | PRO A 125ARG A 124GLU A 14 | 1.09A | 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. | 1YVP_A_ACTA2001_0 (60-KDA SS-A/RORIBONUCLEOPROTEIN) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | TYR A 153SER B 10SER A 10THR B 128 | 1.43A | 20.32 | 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. | 5U6M_A_SALA503_1 (UDP-GLYCOSYLTRANSFERASE 74F2) | Salicylic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PHE A 188GLN A 197MET A 133THR A 174 | 1.16A | 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. | 2PGR_A_DCFA501_2 (ADENOSINE DEAMINASE) | Pentostatin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | LEU C 266LEU C 287PHE C 245 | 1.28A | 20.21 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4YO9_B_ACTB401_0 (3C-LIKE PROTEINASE) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ARG C 134ASP C 200TYR C 202 | 0.35A | 80.72 | 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. | 2PRG_A_BRLA1_2 (PEROXISOMEPROLIFERATORACTIVATED RECEPTORGAMMA) | Rosiglitazone | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ILE B 215ILE B 300LEU B 266 | 1.04A | 19.75 | 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. | 5EC8_A_SAMA301_0 (GENOME POLYPROTEIN) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLY C 283GLY D 141GLY C 2VAL D 117ILE D 139 | 1.45A | 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. | 4ZDY_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ALA C 179TYR C 164PRO C 39 | 1.37A | 20.63 | EDO C 404 ( 4.3A)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. | 5ALC_L_TIQL1210_2 (ANTI-TICAGRELOR FAB72, LIGHT CHAIN) | Ticagrelor | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | SER B 1GLY A 173ILE B 281SER B 284 | 1.23A | 22.30 | EDO A 404 ( 4.5A)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. | 5BMV_C_VLBC507_2 (TUBULIN ALPHA-1BCHAIN) | Vinblastine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PRO A 293VAL A 296ASN A 297ILE A 300 | 0.43A | 21.51 | 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. | 6A7J_A_TESA502_0 (CYTOCHROME P450) | Testosterone | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PHE B 291LEU B 211ALA B 213ALA B 214 | 1.18A | 22.43 | 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. | 4R38_A_RBFA201_2 (BLUE-LIGHT-ACTIVATEDHISTIDINE KINASE 2) | Riboflavin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | THR B 101LEU B 30VAL B 68LEU B 78 | 1.28A | 17.28 | 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. | 2BYO_A_LNLA1217_1 (LIPOPROTEIN LPPX) | Alpha-Linolenic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 4 | VAL A 132LEU A 254ILE A 300LEU A 3 | 1.26A | 24.21 | 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. | 2W3V_A_TOPA1169_1 (DIHYDROFOLATEREDUCTASE) | Trimethoprim | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | VAL B 251ILE B 269PHE B 245ILE B 262TYR B 212 | 1.49A | 18.57 | 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. | 2PRG_A_BRLA1_2 (PEROXISOMEPROLIFERATORACTIVATED RECEPTORGAMMA) | Rosiglitazone | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ILE C 215ILE C 300LEU C 266 | 1.05A | 19.75 | 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. | 3SGL_A_SAMA692_0 (TRNA5-METHYLAMINOMETHYL-2-THIOURIDINEBIOSYNTHESISBIFUNCTIONAL PROTEINMNMC) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLU A 169GLY A 173GLY B 2LEU A 144ASP A 200 | 1.42A | 19.79 | EDO A 404 (-3.7A)NoneNoneNoneEDO A 403 ( 4.2A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4WBO_A_ANWA601_0 (RHODOPSIN KINASE) | Amlexanox | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | ALA A 268ILE A 269VAL A 251ALA A 255 | 1.39A | 19.32 | EDO A 401 ( 4.2A)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. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ALA A 213THR A 258ASN A 297ILE A 300 | 1.32A | 20.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4WBO_A_ANWA601_0 (RHODOPSIN KINASE) | Amlexanox | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | ALA C 268ILE C 269VAL C 251ALA C 255 | 1.41A | 19.32 | EDO C 402 ( 4.3A)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. | 4FAK_A_SAMA201_0 (RIBOSOMAL RNA LARGESUBUNITMETHYLTRANSFERASE H) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 10 | LEU D 90GLY D 149PHE D 66SER D 67THR D 26 | 1.38A | 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. | 6FEK_A_ADNA1104_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE RECEPTOR RET) | Adenosine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 11 | GLY D 247ILE D 269VAL D 207TYR D 212LEU D 266 | 1.07A | 19.94 | 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. | 3SGL_A_SAMA692_0 (TRNA5-METHYLAMINOMETHYL-2-THIOURIDINEBIOSYNTHESISBIFUNCTIONAL PROTEINMNMC) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLU C 169GLY C 173GLY D 2LEU C 144ASP C 200 | 1.40A | 19.79 | 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. | 5JLC_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | GLY B 177THR B 176GLY B 73LEU B 118 | 0.93A | 19.77 | 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. | 5AYF_A_C7HA402_1 (HISTONE-LYSINEN-METHYLTRANSFERASESETD7) | Cyproheptadine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 5 | TYR A 185GLY A 182TYR A 164GLY A 149 | 1.40A | 21.95 | 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. | 4FGL_C_CLQC303_1 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) | Chloroquine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ASN B 172GLY A 218PHE A 222ILE A 281 | 1.38A | 19.61 | 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. | 5KM8_B_L8PB201_1 (HISTIDINE TRIADNUCLEOTIDE-BINDINGPROTEIN 2,MITOCHONDRIAL) | Cidofovir | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | TRP A 236GLN A 270ALA A 239GLN A 241 | 1.35A | 19.43 | 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. | 5TL8_A_X2NA502_1 (PROTEIN CYP51) | Posaconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | ALA C 84PHE C 106ALA C 15MET C 165THR C 93 | 1.45A | 18.92 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4YO9_B_ACTB401_0 (3C-LIKE PROTEINASE) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ARG D 134ASP D 200TYR D 202 | 0.30A | 80.72 | 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. | 5KOC_A_SAMA401_0 (PAVINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLY D 302ASP D 295THR D 292VAL D 256LEU D 254 | 1.47A | 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. | 4FAK_A_SAMA201_0 (RIBOSOMAL RNA LARGESUBUNITMETHYLTRANSFERASE H) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 10 | LEU B 90GLY B 149PHE B 66SER B 67THR B 26 | 1.45A | 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. | 3SEL_X_DXCX75_0 (CYTOCHROME C7) | Deoxycholic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ILE A 269LEU A 266PHE A 245GLY A 247 | 1.38A | 14.53 | 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. | 5OJ0_A_9WTA801_0 (PENICILLIN-BINDINGPROTEIN 2X) | Cefepime | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | THR B 88SER B 178GLY B 177THR B 176GLN B 197 | 1.35A | 17.71 | 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. | 5IZF_E_AZ1E2_1 (CAMP-DEPENDENTPROTEIN KINASECATALYTIC SUBUNITALPHA6J9-ZEU-DAR-ACA-DAR-NH2) | Azelaic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | GLY D 173SER C 1LEU D 170GLU D 290 | 1.49A | 20.16 | NoneNoneNoneEDO D 403 (-4.3A) | ||
| 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. | 2W3V_A_TOPA1169_1 (DIHYDROFOLATEREDUCTASE) | Trimethoprim | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | VAL C 251ILE C 269PHE C 245ILE C 262TYR C 212 | 1.47A | 18.57 | 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. | 4PM7_A_CE3A301_1 (BETA-LACTAMASECTX-M-14) | Cefotaxime | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLY B 146ASN B 122ASN B 28ALA B 148GLY B 149 | 1.50A | 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. | 5DSG_A_0HKA1201_2 (MUSCARINICACETYLCHOLINERECEPTORM4,ENDOLYSIN,ENDOLYSIN,MUSCARINICACETYLCHOLINERECEPTOR M4) | Tiotropium | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ASN B 226LEU B 272PHE D 106 | 1.45A | 24.24 | 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. | 4WBO_A_ANWA601_0 (RHODOPSIN KINASE) | Amlexanox | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | ALA B 268ILE B 269VAL B 251ALA B 255 | 1.39A | 19.32 | 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. | 5YCP_A_BRLA501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Rosiglitazone | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | GLY A 302VAL A 256MET A 253 | 1.00A | 20.32 | 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. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | GLU D 169ALA D 171GLN D 197THR D 138 | 1.21A | 20.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4FOR_A_FLPA711_1 (LACTOTRANSFERRIN) | Flurbiprofen | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | THR C 174GLY C 141VAL D 4GLY D 283 | 1.09A | 23.77 | None | ||
| Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target. | 4YO9_B_ACTB401_0 (3C-LIKE PROTEINASE) | Acetic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ARG A 134ASP A 200TYR A 202 | 0.32A | 80.72 | EDO A 403 (-4.1A)EDO A 403 ( 4.2A)EDO A 403 ( 3.8A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4ZDY_A_1YNA602_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ALA D 179TYR D 164PRO D 39 | 1.37A | 20.63 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5XIW_B_LOCB504_1 (TUBULIN ALPHA-1BCHAINTUBULIN BETA CHAIN) | Colchicine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | SER C 116ALA C 114VAL C 132 | 1.28A | 21.51 | EDO C 405 (-2.5A)EDO C 405 (-4.1A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2Q63_A_1UNA1001_4 (PROTEASE RETROPEPSIN) | Nelfinavir | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | ASP A 200ASN A 136THR C 26 | 1.26A | 15.08 | EDO A 403 ( 4.2A)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. | 2DTJ_A_THRA401_0 (ASPARTOKINASE) | L-Threonine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ALA C 213THR C 258ASN C 297ILE C 300 | 1.34A | 20.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2BM9_A_SAMA301_1 (CEPHALOSPORINHYDROXYLASE CMCI) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 3 / 3 | LYS D 257ASP D 295ASN D 297 | 1.46A | 22.65 | EDO A 404 ( 4.4A)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. | 3SEL_X_DXCX75_0 (CYTOCHROME C7) | Deoxycholic Acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | ILE C 269LEU C 266PHE C 245GLY C 247 | 1.37A | 14.53 | 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. | 5KM8_B_L8PB201_1 (HISTIDINE TRIADNUCLEOTIDE-BINDINGPROTEIN 2,MITOCHONDRIAL) | Cidofovir | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 8 | TRP B 236GLN B 270ALA B 239GLN B 241 | 1.25A | 19.43 | 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. | 5U6M_A_SALA503_1 (UDP-GLYCOSYLTRANSFERASE 74F2) | Salicylic acid | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 7 | PHE C 188GLN C 197MET C 133THR C 174 | 1.22A | 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. | 4KYK_B_IMNB300_1 (LACTOYLGLUTATHIONELYASE) | Indomethacin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | PHE C 162MET C 165PHE C 180GLY C 123MET C 17 | 1.42A | 22.92 | 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. | 3SGL_A_SAMA692_0 (TRNA5-METHYLAMINOMETHYL-2-THIOURIDINEBIOSYNTHESISBIFUNCTIONAL PROTEINMNMC) | S-Adenosylmethionine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | GLU B 169GLY B 173GLY A 2LEU B 144ASP B 200 | 1.43A | 19.79 | 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. | 4XUM_A_IMNA501_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Indomethacin | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 5 / 12 | PHE C 106SER C 178PHE C 162LEU C 30LEU C 89 | 1.45A | 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. | 1WRQ_A_HISA2001_0 (HUT OPERON POSITIVEREGULATORY PROTEIN) | L-Histidine | 4wme | MERS-COV 3CLPROTEASE (MERS-CoV) | 4 / 6 | ARG C 124ILE C 72GLY C 73ALA C 74 | 1.03A | 20.14 | None |