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| PDB ID: 2bez Macromolecule: SPIKE GLYCOPROTEIN Source Organism: SARSr-CoV Gene names: 2S UniProt ID: P59594 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2bez'
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. | 1MZ9_D_VDYD1001_2 (CARTILAGE OLIGOMERICMATRIX PROTEIN) | Calcidiol | 3 / 3 | LEU F1168VAL F1171LEU F1175 | 0.80A | 24.00 | 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. | 6B58_A_ACTA608_0 (FUMARATE REDUCTASEFLAVOPROTEIN SUBUNIT) | Acetic acid | 3 / 3 | GLY C 928THR C 925GLU F1164 | 1.77A | 9.23 | 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. | 1MZ9_A_VDYA1002_1 (CARTILAGE OLIGOMERICMATRIX PROTEIN) | Calcidiol | 4 / 4 | ILE F1165LEU F1168VAL F1171ALA C 912 | 1.45A | 24.00 | 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. | 5B8H_A_PAUA302_0 (TYPE IIIPANTOTHENATE KINASE) | Pantothenic acid | 5 / 12 | LEU F1148GLY F1149ASP F1150GLN C 947LEU C 944 | 1.49A | 9.19 | 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. | 5EAJ_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.38A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5Z86_W_CHDW101_0 (CYTOCHROME C OXIDASESUBUNIT 1CYTOCHROME C OXIDASESUBUNIT 7A1,MITOCHONDRIAL) | Cholic Acid | 4 / 6 | ILE C 913ARG F1167THR C 922LEU C 920 | 1.74A | 10.5422.08 | 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. | 3UG2_A_IREA1_1 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Gefitinib | 5 / 12 | VAL F1146ALA C 954LEU C 959GLY F1149ASP F1150 | 1.50A | 9.72 | 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. | 1RG9_A_SAMA385_1 (S-ADENOSYLMETHIONINESYNTHETASE) | S-Adenosylmethionine | 4 / 8 | ALA C 906GLN C 908ASP F1181ILE F1180 | 1.14A | 12.95 | 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. | 3FW3_A_ETSA302_1 (CARBONIC ANHYDRASE 4) | Dorzolamide | 5 / 12 | ILE C 916VAL F1171LEU C 920THR C 922THR C 923 | 1.44A | 15.41 | 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. | 1DVX_B_DIFB125_2 (TRANSTHYRETIN) | Diclofenac | 5 / 7 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.76A | 21.77 | 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. | 6EXI_A_ADNA502_1 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 3 / 3 | LEU C 920ASN C 910LEU F1175 | 0.94A | 10.99 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 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_1 (PROTEASE) | Darunavir | 5 / 12 | GLY C 953ALA C 954VAL F1146GLY F1149ILE F1151 | 1.36A | 17.76 | 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. | 1T7J_A_478A200_1 (POL POLYPROTEIN) | Amprenavir | 6 / 11 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149VAL C 958 | 1.70A | 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. | 2AVS_B_MK1B902_1 (POL POLYPROTEIN) | Indinavir | 5 / 12 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.14A | 17.76 | 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. | 5T8S_B_SAMB402_0 (S-ADENOSYLMETHIONINESYNTHASE) | S-Adenosylmethionine | 4 / 8 | ALA C 906GLN C 908ASP F1181ILE F1180 | 1.24A | 13.17 | 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. | 5L4I_A_6J3A201_0 (TRANSTHYRETIN) | Clonixin | 5 / 6 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.79A | 19.69 | 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. | 4X5G_B_FOLB201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.30A | 12.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DH0_A_017A101_1 (PROTEASE) | Darunavir | 5 / 12 | GLY C 953ALA C 954VAL F1146GLY F1149ILE F1151 | 1.37A | 19.82 | 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. | 2D0K_B_FOLB2161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.34A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1MZ9_A_VDYA1002_3 (CARTILAGE OLIGOMERICMATRIX PROTEIN) | Calcidiol | 4 / 5 | ILE F1165LEU F1168VAL F1171ALA C 912 | 1.46A | 24.00 | 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. | 4PWJ_B_30ZB201_1 (TRANSTHYRETIN) | Masoprocol | 5 / 7 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.73A | 15.72 | 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. | 3CZH_A_D2VA602_2 (CYTOCHROME P450 2R1) | Ergocalciferol | 3 / 3 | LEU C 930GLU F1164ILE F1165 | 0.97A | 8.25 | 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. | 2IEO_A_017A402_1 (PROTEASE) | Darunavir | 5 / 12 | GLY C 953ALA C 954VAL F1146GLY F1149ILE F1151 | 1.36A | 17.76 | 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. | 5Z6M_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 11 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.30A | 12.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1XVA_B_ACTB294_0 (GLYCINEN-METHYLTRANSFERASE) | Acetic acid | 4 / 6 | ALA C 926GLU F1164ILE F1165LEU C 930 | 1.24A | 15.06 | 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. | 4M93_B_ACTB303_0 (S25-26 FAB (IGG1K)HEAVY CHAINS25-26 FAB (IGG1K)LIGHT CHAIN) | Acetic acid | 4 / 5 | GLY C 953SER C 950ALA C 954PHE C 952 | 1.56A | 15.4217.44 | 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. | 1T87_B_CAMB2422_0 (CYTOCHROME P450-CAM) | Camphor | 4 / 7 | THR C 923LEU F1168VAL F1171ILE C 916 | 1.25A | 11.55 | 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. | 1E7C_A_HLTA4007_1 (SERUM ALBUMIN) | Halothane | 4 / 8 | LEU C 959ASP C 967LEU C 966LEU C 963 | 1.41A | 9.57 | 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. | 3D2T_A_1FLA502_1 (TRANSTHYRETIN) | Diflunisal | 5 / 7 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.75A | 19.69 | 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. | 2XN5_A_FUNA1356_2 (THYROXINE-BINDINGGLOBULIN) | Furosemide | 3 / 3 | LEU F1168ARG F1167ILE F1165 | 1.03A | 23.81 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4MA8_C_Z80C301_1 (MAJOR PRION PROTEIN) | Chlorpromazine | 4 / 5 | LEU C 927GLY C 928ILE F1161LYS F1163 | 1.63A | 16.80 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4PSS_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.30A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1RA2_A_FOLA161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.35A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4G24_A_ACAA1004_1 (PENTATRICOPEPTIDEREPEAT-CONTAININGPROTEIN AT2G32230,MITOCHONDRIAL) | Aminocaproic Acid | 4 / 6 | ALA C 940ASN C 942LEU C 944VAL C 945 | 1.43A | 10.78 | 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. | 3JB3_A_SAMA1102_1 (STRUCTURAL PROTEINVP3) | S-Adenosylmethionine | 3 / 3 | ARG C 965ASP C 967ASP C 961 | 1.20A | 5.42 | 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. | 4FHB_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.30A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5YU9_C_1E8C1101_1 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Ibrutinib | 5 / 12 | VAL F1146ALA C 954LEU C 959GLY F1149ASP F1150 | 1.66A | 9.47 | 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. | 3LZV_A_017A200_1 (HIV-1 PROTEASE) | Darunavir | 5 / 10 | LEU C 944GLY F1149GLY C 953ILE C 955VAL C 945 | 1.45A | 19.27 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5Z6J_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.34A | 12.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4P3R_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.32A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1XVA_A_ACTA294_0 (GLYCINEN-METHYLTRANSFERASE) | Acetic acid | 4 / 5 | ILE F1165LEU C 930ALA C 926GLU F1164 | 1.36A | 12.02 | 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. | 3FW3_B_ETSB303_1 (CARBONIC ANHYDRASE 4) | Dorzolamide | 5 / 12 | ILE C 916VAL F1171LEU C 920THR C 922THR C 923 | 1.46A | 15.41 | 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. | 4Y0Q_A_PX9A201_1 (BETA-LACTOGLOBULIN) | Pramocaine | 3 / 3 | LYS C 929ILE F1161ILE F1165 | 1.24A | 22.39 | 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. | 2AVV_E_MK1E902_1 (POL POLYPROTEIN) | Indinavir | 5 / 12 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.09A | 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. | 4J5J_B_478B401_1 (PROTEASE) | Amprenavir | 5 / 8 | LEU C 944GLY F1149GLY C 953ILE C 955VAL C 945 | 1.59A | 16.16 | 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. | 1RD7_B_FOLB361_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.44A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DQH_B_017B101_2 (WILD-TYPE HIV-1PROTEASE DIMER) | Darunavir | 5 / 10 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.48A | 17.14 | 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. | 3R9V_B_DXCB1_0 (INVASIN IPAD) | Deoxycholic Acid | 4 / 7 | ILE F1154LEU C 944SER C 950VAL F1146 | 1.29A | 11.54 | 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. | 4EJ1_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.38A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2C12_F_SPMF1433_1 (NITROALKANE OXIDASE) | Spermine | 5 / 11 | GLU C 970VAL C 969ALA C 971SER C 964LEU C 966 | 1.66A | 15.06 | 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. | 1TYR_A_9CRA131_1 (TRANSTHYRETIN) | Alitretinoin | 5 / 6 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.74A | 19.69 | 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. | 5YF9_X_NIOX401_1 (CASEIN KINASE IISUBUNIT ALPHA') | Niacin | 5 / 9 | LEU C 941VAL C 945LYS C 946ILE F1151ILE F1154 | 1.73A | 15.03 | NoneNoneGOL C1973 (-3.4A)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. | 3UBO_A_ADNA353_1 (ADENOSINE KINASE) | Adenosine | 5 / 12 | ASN F1155ILE F1154SER F1152GLY F1149ASP F1150 | 1.66A | 7.08 | 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. | 5Z6K_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.31A | 12.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5BOJ_B_4TXB201_1 (TRANSTHYRETIN) | Gemfibrozil | 5 / 7 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.75A | 19.69 | 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. | 5L94_A_TESA502_1 (CYTOCHROME P450) | Testosterone | 5 / 8 | VAL F1159ILE F1161ALA C 926VAL C 934VAL C 933 | 1.51A | 7.86 | 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. | 2IEO_A_017A402_2 (PROTEASE) | Darunavir | 6 / 12 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149VAL C 958 | 1.79A | 17.76 | 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. | 4O5F_A_PAUA301_0 (TYPE IIIPANTOTHENATE KINASE) | Pantothenic acid | 5 / 12 | LEU F1148GLY F1149ASP F1150GLN C 947LEU C 944 | 1.49A | 15.03 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4KCN_A_ACTA803_0 (NITRIC OXIDESYNTHASE, BRAIN) | Acetic acid | 4 / 6 | GLY F1149ILE F1151GLN C 947SER F1152 | 1.52A | 7.79 | 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. | 3EKT_B_017B200_1 (PROTEASE) | Darunavir | 5 / 9 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.54A | 20.59 | 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. | 1RA8_A_FOLA161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.37A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3JAY_A_SAMA1102_1 (STRUCTURAL PROTEINVP3) | S-Adenosylmethionine | 3 / 3 | ARG C 965ASP C 967ASP C 961 | 1.20A | 5.42 | 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. | 2C12_D_SPMD1434_1 (NITROALKANE OXIDASE) | Spermine | 5 / 10 | GLU C 970VAL C 969ALA C 971SER C 964LEU C 966 | 1.66A | 15.06 | 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. | 4QRC_A_0LIA802_2 (FIBROBLAST GROWTHFACTOR RECEPTOR 4) | Ponatinib | 4 / 8 | LEU C 927LYS C 929ILE F1165LEU F1168 | 1.19A | 12.69 | 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. | 3U7S_A_017A201_1 (POL POLYPROTEIN) | Darunavir | 5 / 9 | LEU C 959GLY C 953ALA C 954GLY F1149VAL C 958 | 1.46A | 17.92 | 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. | 1RS7_B_ACTB861_0 (NITRIC-OXIDESYNTHASE, BRAIN) | Acetic acid | 4 / 6 | GLY F1149ILE F1151GLN C 947SER F1152 | 1.49A | 7.79 | 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. | 4X5I_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.36A | 12.75 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3OY4_B_017B200_2 (HIV-1 PROTEASE) | Darunavir | 5 / 10 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.46A | 18.27 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4D7B_B_TCWB1126_1 (TRANSTHYRETIN) | Tolcapone | 5 / 7 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.73A | 19.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DQC_A_017A101_2 (ASPARTYL PROTEASE) | Darunavir | 5 / 9 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.53A | 17.14 | 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. | 1RX2_A_FOLA161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.34A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1RB2_B_FOLB161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.41A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4RVJ_B_478B101_2 (HIV-1 PROTEASE) | Amprenavir | 5 / 9 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.53A | 19.81 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2C12_B_SPMB1433_1 (NITROALKANE OXIDASE) | Spermine | 5 / 11 | GLU C 970VAL C 969ALA C 971SER C 964LEU C 966 | 1.67A | 15.06 | 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. | 1RA3_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.42A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ZCO_W_CHDW101_0 (CYTOCHROME C OXIDASESUBUNIT 1CYTOCHROME C OXIDASESUBUNIT 7A1,MITOCHONDRIAL) | Cholic Acid | 4 / 6 | ILE C 913ARG F1167THR C 922LEU C 920 | 1.76A | 10.5422.08 | 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. | 5UJX_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE F1154ALA F1156LEU C 941LEU C 948ILE F1151 | 1.40A | 13.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3KO0_B_TFPB202_1 (PROTEIN S100-A4) | Trifluoperazine | 3 / 3 | GLU F1164LEU F1168ASP F1166 | 0.88A | 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. | 4Q1W_A_017A104_1 (ASPARTYL PROTEASE) | Darunavir | 5 / 9 | LEU C 944GLY F1149GLY C 953ILE C 955VAL C 945 | 1.49A | 19.05 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NNK_A_ROCA401_1 (PROTEASE) | Saquinavir | 5 / 12 | LEU C 959GLY C 953ALA C 954GLY F1149VAL C 958 | 1.31A | 17.76 | 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. | 5KR0_A_478A101_2 (PROTEASE E35D-APV) | Amprenavir | 5 / 9 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.53A | 17.76 | 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. | 4D7B_A_TCWA1126_1 (TRANSTHYRETIN) | Tolcapone | 5 / 6 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.69A | 19.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4NJT_B_017B101_2 (PROTEASE) | Darunavir | 5 / 10 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.52A | 19.81 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DQB_B_017B101_2 (ASPARTYL PROTEASE) | Darunavir | 5 / 10 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149 | 1.49A | 17.14 | 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. | 1DVX_B_DIFB125_1 (TRANSTHYRETIN) | Diclofenac | 5 / 7 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.78A | 21.77 | 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. | 1N4F_A_ASRA140_0 (LYSOZYME C) | Arsanilic acid | 3 / 3 | ASN F1155ALA C 940ASN C 937 | 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. | 6DH0_A_017A101_0 (PROTEASE) | Darunavir | 6 / 12 | LEU C 959GLY C 953ALA C 954VAL F1146GLY F1149VAL C 958 | 1.77A | 19.82 | 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. | 4KTT_A_SAMA405_1 (S-ADENOSYLMETHIONINESYNTHASE ISOFORMTYPE-2) | S-Adenosylmethionine | 4 / 8 | ALA C 906GLN C 908ASP F1181ILE F1180 | 1.31A | 10.51 | 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. | 4I89_A_1FLA201_1 (TRANSTHYRETIN) | Diflunisal | 5 / 6 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.76A | 20.47 | 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. | 3PWM_B_017B402_1 (PROTEASE) | Darunavir | 5 / 12 | GLY C 953ALA C 954VAL F1146GLY F1149ILE F1151 | 1.33A | 16.36 | 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. | 4NDN_A_SAMA407_1 (S-ADENOSYLMETHIONINESYNTHASE ISOFORMTYPE-2) | S-Adenosylmethionine | 4 / 8 | ALA C 906GLN C 908ASP F1181ILE F1180 | 1.22A | 10.51 | 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. | 4CCQ_A_ACTA1317_0 (THIOREDOXINREDUCTASE) | Acetic acid | 3 / 3 | LEU F1168GLU F1164SER C 919 | 1.55A | 8.97 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5BOJ_A_4TXA201_1 (TRANSTHYRETIN) | Gemfibrozil | 5 / 6 | LEU C 930ALA C 926LEU C 927SER C 924THR C 922 | 1.75A | 19.69 | 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. | 1P7L_C_SAMC685_1 (S-ADENOSYLMETHIONINESYNTHETASE) | S-Adenosylmethionine | 4 / 8 | ALA C 906GLN C 908ASP F1181ILE F1180 | 1.16A | 12.95 | None |