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| PDB ID: 5r84 Macromolecule: 3C-LIKE PROTEINASE Source Organism: SARS-CoV-2 Gene names: 1a-1brep UniProt ID: P0DTD1 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5r84'
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. | 3FUP_A_MI1A1_1 (TYROSINE-PROTEINKINASE JAK2) | Tofacitinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.29A | 20.29 | 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. | 4QVN_H_BO2H301_1 (PROTEASOME SUBUNITBETA TYPE-2PROTEASOME SUBUNITBETA TYPE-3) | Bortezomib | 5 / 11 | GLN A 74CYH A 38GLY A 23THR A 21THR A 25 | 1.76A | 19.6921.82 | 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. | 3LM8_C_VIBC223_1 (THIAMINEPYROPHOSPHOKINASE) | Thiamine | 4 / 8 | TYR A 239LEU A 242LEU A 205CYH A 265 | 1.18A | 19.63 | 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. | 5TT3_F_EZLF302_1 (ALPHA-CARBONICANHYDRASE) | Ethoxzolamide | 4 / 8 | HIS A 246VAL A 247LEU A 205THR A 201 | 1.37A | 21.10 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4ZBQ_A_DIFA602_1 (SERUM ALBUMIN) | Diclofenac | 4 / 8 | LEU A 208ASN A 214ALA A 211GLU A 288 | 1.46A | 17.80 | 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. | 5NWU_A_ACAA18_1 (WTFP-TAG,GP41) | Aminocaproic Acid | 5 / 12 | ALA A 266SER A 267ASN A 203LEU A 287GLU A 288 | 1.61A | 8.79 | 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. | 4QWU_H_BO2H301_1 (PROTEASOME SUBUNITBETA TYPE-2PROTEASOME SUBUNITBETA TYPE-3) | Bortezomib | 5 / 11 | GLN A 74CYH A 38GLY A 23THR A 21THR A 25 | 1.74A | 19.6921.82 | 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. | 2W1B_A_DXCA2034_0 (ACRIFLAVINRESISTANCE PROTEIN B) | Deoxycholic Acid | 3 / 3 | PHE A 140SER A 123LEU A 115 | 1.27A | 15.31 | 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. | 4RMJ_A_NCAA402_0 (NAD-DEPENDENTPROTEIN DEACETYLASESIRTUIN-2) | Nicotinamide | 4 / 7 | LEU A 242LEU A 250ILE A 249ASP A 248 | 1.01A | 21.19 | 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. | 3LCV_B_SAMB301_0 (SISOMICIN-GENTAMICINRESISTANCE METHYLASESGM) | S-Adenosylmethionine | 5 / 12 | TYR A 54HIS A 164ILE A 43LEU A 89LEU A 30 | 1.45A | 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. | 3TNE_B_RITB401_2 (SECRETED ASPARTICPROTEASE) | Ritonavir | 4 / 7 | TYR A 209VAL A 212ILE A 259TYR A 239 | 1.06A | 23.20 | 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. | 5TT3_H_EZLH303_1 (ALPHA-CARBONICANHYDRASE) | Ethoxzolamide | 4 / 8 | HIS A 246VAL A 247LEU A 205THR A 201 | 1.41A | 21.10 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2VL2_B_BEZB1162_0 (PEROXIREDOXIN-5) | Benzoic Acid | 4 / 7 | PRO A 39THR A 175GLY A 174LEU A 30 | 1.18A | 21.31 | 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. | 4M2V_A_BZ1A302_2 (CARBONIC ANHYDRASE 2) | Brinzolamide | 3 / 3 | HIS A 164VAL A 13LEU A 30 | 1.20A | 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. | 6B68_D_9F2D400_1 (BETA-LACTAMASE) | Ceftriaxone | 5 / 12 | ASN A 180ARG A 105ARG A 40GLY A 179ASP A 176 | 1.73A | 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. | 1ACJ_A_THAA999_1 (ACETYLCHOLINESTERASE) | Tacrine | 5 / 9 | GLY A 146PHE A 140ILE A 136HIS A 163GLY A 174 | 1.78A | 18.98 | NoneNoneNoneGWS A1001 (-3.9A)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. | 2BXE_B_1FLB2001_1 (SERUM ALBUMIN) | Diflunisal | 5 / 12 | PHE A 150VAL A 148GLY A 149CYH A 160LEU A 30 | 1.50A | 17.80 | 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. | 1H4O_G_BEZG1162_0 (PEROXIREDOXIN 5) | Benzoic Acid | 4 / 8 | PRO A 39THR A 175GLY A 174LEU A 30 | 1.18A | 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. | 3WSJ_A_MK1A201_1 (PROTEASE) | Indinavir | 5 / 9 | LEU A 58ASP A 187VAL A 42LEU A 27ILE A 43 | 1.80A | 16.83 | 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. | 2D55_C_DVAC2_0 (ACTINOMYCIN D) | L-Valine | 3 / 3 | THR A 98PRO A 96PRO A 99 | 1.41A | 3.53 | 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. | 3KO0_G_TFPG201_1 (PROTEIN S100-A4) | Trifluoperazine | 5 / 9 | GLY A 146GLY A 179CYH A 44ILE A 43CYH A 22 | 1.37A | 16.95 | 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. | 5ZRD_C_CUC605_0 (TYROSINASE) | Copper | 4 / 5 | CYH A 145HIS A 41HIS A 164PHE A 181 | 1.79A | 20.93 | GWS A1001 (-3.4A)GWS A1001 (-3.7A)NoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3ME6_A_CGEA501_1 (CYTOCHROME P450 2B4) | Clopidogrel | 5 / 10 | VAL A 296ILE A 213ALA A 255ILE A 259VAL A 212 | 1.44A | 21.22 | 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. | 4E3H_A_HQEA303_1 (CARBONIC ANHYDRASE 2) | Hydroquinone | 5 / 10 | VAL A 77PHE A 66LEU A 89VAL A 91VAL A 36 | 1.45A | 22.99 | 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. | 4EXS_B_X8ZB301_1 (BETA-LACTAMASE NDM-1) | Captopril | 4 / 8 | VAL A 36HIS A 80CYH A 22ASN A 63 | 1.72A | 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. | 4MXZ_A_DB8A601_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE SRC) | Bosutinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.41A | 24.70 | 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. | 5V0V_A_8QPA612_1 (SERUM ALBUMIN) | Etodolac | 5 / 12 | GLU A 240LEU A 242HIS A 246LEU A 227ALA A 234 | 1.62A | 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. | 2Y7K_D_SALD1300_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 12 | THR A 257ILE A 259GLY A 258GLY A 251LEU A 250 | 1.38A | 21.61 | 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. | 2DR2_A_TRPA479_0 (TRYPTOPHANYL-TRNASYNTHETASE) | L-Tryptophan | 5 / 11 | TYR A 161GLY A 149ILE A 136CYH A 128PHE A 140 | 1.56A | 24.32 | 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. | 1VQ1_B_SAMB301_0 (N5-GLUTAMINEMETHYLTRANSFERASE,HEMK) | S-Adenosylmethionine | 5 / 12 | PHE A 181ILE A 106GLY A 183GLU A 290ALA A 173 | 1.34A | 20.29 | 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. | 1NHZ_A_486A800_1 (GLUCOCORTICOIDRECEPTOR) | Mifepristone | 5 / 12 | LEU A 27ASN A 28GLY A 29VAL A 36LEU A 67 | 1.67A | 19.50 | 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. | 4X1Y_B_LOCB502_1 (TUBULIN BETA CHAIN) | Colchicine | 6 / 12 | LEU A 242LEU A 272ALA A 234ASN A 238VAL A 204ILE A 200 | 1.76A | 20.43 | 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. | 3FUP_B_MI1B1_1 (TYROSINE-PROTEINKINASE JAK2) | Tofacitinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.31A | 20.29 | 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. | 3LM8_D_VIBD223_1 (THIAMINEPYROPHOSPHOKINASE) | Thiamine | 4 / 8 | TYR A 239LEU A 242LEU A 205CYH A 265 | 1.19A | 19.63 | 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. | 2AKE_A_TRPA479_0 (TRYPTOPHANYL-TRNASYNTHETASE) | L-Tryptophan | 5 / 12 | TYR A 161GLY A 149ILE A 136CYH A 128PHE A 140 | 1.56A | 24.32 | 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. | 6FEK_A_ADNA1104_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE RECEPTOR RET) | Adenosine | 5 / 11 | GLY A 11VAL A 13VAL A 148ALA A 116GLY A 124 | 1.17A | 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. | 4G5J_A_0WMA1102_1 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Afatinib | 4 / 7 | ILE A 43TYR A 54PRO A 52HIS A 41 | 1.54A | 21.74 | NoneNoneNoneGWS A1001 (-3.7A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3E23_A_SAMA221_0 (UNCHARACTERIZEDPROTEIN RPA2492) | S-Adenosylmethionine | 6 / 12 | PHE A 230LEU A 205TYR A 209GLY A 251LEU A 253LEU A 242 | 1.64A | 19.60 | 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. | 4XV2_A_P06A801_1 (SERINE/THREONINE-PROTEIN KINASE B-RAF) | Dabrafenib | 5 / 12 | PHE A 140VAL A 125ALA A 7PHE A 150GLY A 149 | 1.45A | 20.24 | 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. | 5X7F_A_SAMA301_0 (PUTATIVEO-METHYLTRANSFERASERV1220C) | S-Adenosylmethionine | 5 / 12 | VAL A 86GLY A 29GLY A 146ALA A 70GLN A 69 | 1.40A | 22.26 | NoneNoneNoneDMS A1004 ( 3.9A)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. | 5HPU_A_IPHA101_0 (INSULIN, CHAIN AINSULIN, CHAIN B) | Phenol | 4 / 4 | CYH A 265LEU A 250LEU A 205ALA A 206 | 1.65A | 6.829.13 | 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. | 3SUG_A_SUEA1201_1 (NS3 PROTEASE, NS4APROTEIN) | Grazoprevir | 5 / 12 | HIS A 164GLY A 174VAL A 186ASP A 187GLY A 146 | 1.52A | 22.12 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3FRQ_B_ERYB195_1 (REPRESSOR PROTEINMPHR(A)) | Erythromycin | 4 / 7 | TYR A 161ARG A 131ASN A 133ALA A 173 | 1.60A | 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. | 2JN3_A_JN3A131_1 (FATTY ACID-BINDINGPROTEIN, LIVER) | Ursodeoxycholic acid | 5 / 12 | VAL A 114PHE A 150THR A 175LEU A 177VAL A 13 | 1.40A | 17.79 | 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. | 4XNX_A_41XA707_1 (TRANSPORTER) | Reboxetine | 5 / 11 | ASP A 176TYR A 161GLY A 29VAL A 86GLY A 179 | 1.47A | 20.29 | 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. | 3RI5_A_IVMA349_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 13 | ILE A 106ASN A 133ILE A 136THR A 292PHE A 294 | 1.63A | 23.59 | 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. | 4C9O_A_CAMA423_0 (CYTOCHROME P450) | Camphor | 5 / 12 | ILE A 213THR A 257LEU A 250GLY A 251VAL A 297 | 1.23A | 21.96 | 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. | 5BTD_E_GFNE101_1 (DNA GYRASE SUBUNIT ADNA GYRASE SUBUNIT BDNA SUBSTRATE 24-MERGGTCATGAATGACTATGCACGTAA) | Gatifloxacin | 4 / 7 | ALA A 234ASP A 197THR A 111GLU A 290 | 1.35A | 21.1921.18 | 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. | 2PNJ_B_CHDB502_0 (FERROCHELATASE,MITOCHONDRIAL) | Cholic Acid | 4 / 7 | ILE A 152PRO A 122GLY A 15MET A 17 | 1.28A | 21.28 | NoneNoneDMS A1004 (-4.0A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5CSW_A_P06A801_1 (SERINE/THREONINE-PROTEIN KINASE B-RAF) | Dabrafenib | 5 / 12 | PHE A 140VAL A 125ALA A 7PHE A 150GLY A 149 | 1.39A | 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. | 1HVY_D_D16D417_1 (THYMIDYLATE SYNTHASE) | Raltitrexed | 5 / 12 | TRP A 207LEU A 287LEU A 220MET A 264ALA A 266 | 1.43A | 20.60 | 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. | 4OT2_A_NPSA601_1 (SERUM ALBUMIN) | Naproxen | 5 / 12 | PHE A 150VAL A 148GLY A 149CYH A 160LEU A 30 | 1.48A | 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. | 3AG4_W_CHDW1059_0 (CYTOCHROME C OXIDASEPOLYPEPTIDE 7A1CYTOCHROME C OXIDASESUBUNIT 1) | Cholic Acid | 4 / 7 | ILE A 43LEU A 87PHE A 66ARG A 60 | 1.46A | 20.089.48 | 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. | 6JMJ_A_ASCA201_0 (PHOSPHOPANTETHEINEADENYLYLTRANSFERASE) | Vitamin C | 4 / 5 | GLY A 138HIS A 163SER A 147SER A 144 | 1.46A | 20.97 | NoneGWS A1001 (-3.9A)NoneGWS A1001 ( 4.1A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 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_B_ERYB195_0 (REPRESSOR PROTEINMPHR(A)) | Erythromycin | 5 / 12 | THR A 199LEU A 220SER A 267VAL A 212ILE A 259 | 1.16A | 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. | 5BTG_F_LFXF101_1 (DNA GYRASE SUBUNIT ADNA GYRASE SUBUNIT BDNA SUBSTRATE 24-MERTTACGTGCATAGTCATTCATGACC) | Levofloxacin | 4 / 7 | ALA A 234ASP A 197THR A 111GLU A 290 | 1.34A | 21.1921.18 | 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. | 5MVS_A_ADNA401_1 (HISTONE-LYSINEN-METHYLTRANSFERASE,H3 LYSINE-79SPECIFIC) | Adenosine | 4 / 7 | GLY A 183ALA A 173PHE A 134ASN A 180 | 1.56A | 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. | 4O1Z_A_MXMA807_1 (PROSTAGLANDIN G/HSYNTHASE 1) | Meloxicam | 6 / 12 | ILE A 281ILE A 259SER A 267LEU A 268LEU A 271LEU A 287 | 1.53A | 18.65 | 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. | 3WEM_A_ACRA1001_1 (ALPHA-GLUCOSIDASE) | Acarbose | 5 / 12 | ASP A 289ASN A 238ILE A 106ARG A 131ASP A 197 | 1.73A | 16.03 | 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. | 3WEO_A_ACRA1001_1 (ALPHA-GLUCOSIDASE) | Acarbose | 5 / 12 | ASP A 289ASN A 238ILE A 106ARG A 131ASP A 197 | 1.74A | 16.03 | 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. | 2FQY_A_ADNA400_1 (MEMBRANE LIPOPROTEINTMPC) | Adenosine | 5 / 12 | ASP A 295PHE A 8ASN A 151GLY A 149VAL A 13 | 1.73A | 21.81 | DMS A1003 ( 4.7A)DMS A1003 (-3.7A)NoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4M93_B_ACTB303_0 (S25-26 FAB (IGG1K)HEAVY CHAINS25-26 FAB (IGG1K)LIGHT CHAIN) | Acetic acid | 4 / 5 | SER A 267ALA A 266PHE A 230GLU A 270 | 1.66A | 22.8020.78 | 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. | 3FRQ_A_ERYA195_0 (REPRESSOR PROTEINMPHR(A)) | Erythromycin | 5 / 12 | THR A 199LEU A 220SER A 267VAL A 212ILE A 259 | 1.09A | 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. | 3H52_A_486A3_1 (GLUCOCORTICOIDRECEPTOR) | Mifepristone | 5 / 12 | LEU A 282VAL A 204MET A 264LEU A 220MET A 276 | 1.51A | 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. | 2YGQ_A_PCFA1275_0 (WNT INHIBITORYFACTOR 1) | Colfosceril palmitate | 5 / 12 | LEU A 271ILE A 281LEU A 282ILE A 213PHE A 219 | 1.41A | 18.34 | 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. | 5FSA_A_X2NA590_2 (CYP51 VARIANT1) | Posaconazole | 3 / 3 | PRO A 39ILE A 78SER A 147 | 1.28A | 20.04 | 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. | 1YA3_C_STRC3001_1 (MINERALOCORTICOIDRECEPTOR) | Progesterone | 5 / 12 | LEU A 287LEU A 208ALA A 206LEU A 242THR A 199 | 1.33A | 22.91 | 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. | 1QU2_A_MRCA1993_1 (ISOLEUCYL-TRNASYNTHETASE) | Mupirocin | 5 / 12 | PRO A 168GLY A 138GLY A 174HIS A 163VAL A 114 | 1.70A | 15.38 | NoneNoneNoneGWS A1001 (-3.9A)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. | 2Q7L_A_TESA155_1 (ANDROGEN RECEPTOR) | Testosterone | 5 / 12 | ASN A 119LEU A 27GLY A 143VAL A 148MET A 162 | 1.65A | 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. | 4C9L_A_CAMA1419_0 (CYTOCHROME P450) | Camphor | 5 / 12 | ILE A 213THR A 257LEU A 250GLY A 251VAL A 297 | 1.20A | 22.30 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1FFY_A_MRCA1993_1 (ISOLEUCYL-TRNASYNTHETASE) | Mupirocin | 5 / 12 | PRO A 168GLY A 138GLY A 174HIS A 163VAL A 114 | 1.70A | 15.38 | NoneNoneNoneGWS A1001 (-3.9A)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. | 6AWO_A_SREA701_1 (SODIUM-DEPENDENTSEROTONINTRANSPORTER) | Sertraline | 5 / 9 | ALA A 210ILE A 213GLY A 302SER A 1GLY A 2 | 1.60A | 20.58 | 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. | 3LXN_A_MI1A1_1 (NON-RECEPTORTYROSINE-PROTEINKINASE TYK2) | Tofacitinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.29A | 20.51 | 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. | 2XRH_A_NIOA200_1 (PROTEIN HP0721) | Niacin | 4 / 7 | GLY A 2ILE A 213GLN A 299LEU A 282 | 1.21A | 15.79 | 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. | 4FO4_B_MOAB502_1 (INOSINE5'-MONOPHOSPHATEDEHYDROGENASE) | Mycophenolic acid | 4 / 8 | ASN A 151THR A 292MET A 130GLY A 109 | 1.17A | 24.41 | 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. | 4R3A_B_RBFB402_2 (BLUE-LIGHT-ACTIVATEDHISTIDINE KINASE 2) | Riboflavin | 5 / 12 | ARG A 217ILE A 213ILE A 281LEU A 282GLY A 2 | 1.22A | 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. | 3U52_A_CUA515_0 (PHENOL HYDROXYLASECOMPONENT PHLPHENOL HYDROXYLASECOMPONENT PHN) | Copper | 3 / 3 | HIS A 172HIS A 163ILE A 136 | 1.28A | 18.5021.11 | NoneGWS A1001 (-3.9A)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. | 3RIA_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 136GLY A 109THR A 292PHE A 294ILE A 106 | 1.54A | 23.59 | 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. | 5KLA_A_ACTA1505_0 (MATERNAL PROTEINPUMILIO) | Acetic acid | 3 / 3 | HIS A 80LYS A 61PHE A 66 | 1.54A | 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. | 3ID6_C_SAMC301_0 (FIBRILLARIN-LIKERRNA/TRNA2'-O-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | THR A 111GLU A 288SER A 284ASP A 216ALA A 211 | 1.70A | 22.44 | 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. | 4IK7_A_IMNA201_1 (TRANSTHYRETIN) | Indomethacin | 4 / 7 | MET A 130THR A 135ALA A 173VAL A 171 | 1.41A | 17.21 | 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. | 5JH7_B_6K9B503_1 (TUBULIN ALPHA-1BCHAINTUBULIN BETA-2BCHAIN) | Eribulin | 4 / 7 | LEU A 253VAL A 261ILE A 200VAL A 202 | 1.45A | 20.84 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DX7_A_DM2A1105_1 (ACRIFLAVINERESISTANCE PROTEIN B) | Epirubicin | 5 / 11 | PHE A 3THR A 111GLY A 109ASP A 289GLN A 110 | 1.59A | 15.34 | 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. | 1MEI_A_MOAA600_1 (INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE) | Mycophenolic acid | 4 / 8 | SER A 1ASN A 214ILE A 213GLY A 302 | 1.24A | 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. | 4NTX_A_AMRA509_1 (ACID-SENSING IONCHANNEL 1BASIC PHOSPHOLIPASEA2 HOMOLOG TX-BETA) | Amiloride | 4 / 6 | GLU A 55ASP A 187ASN A 51ARG A 188 | 1.68A | 22.2717.86 | 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. | 5N1T_W_CUW201_0 (COPC) | Copper | 3 / 3 | HIS A 41ASP A 187HIS A 164 | 1.52A | 18.39 | GWS A1001 (-3.7A)NoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3KO0_N_TFPN201_1 (PROTEIN S100-A4) | Trifluoperazine | 5 / 10 | GLY A 146GLY A 179CYH A 44ILE A 43CYH A 22 | 1.36A | 16.95 | 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. | 1NBH_A_SAMA293_1 (GLYCINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | ARG A 105ASP A 187ASN A 51 | 1.52A | 22.85 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3RHW_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 106ILE A 136GLY A 109THR A 292PHE A 294 | 1.55A | 23.59 | 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. | 4WNU_A_QDNA602_1 (CYTOCHROME P450 2D6) | Quinidine | 5 / 11 | GLY A 143LEU A 27PHE A 140ALA A 116SER A 147 | 1.36A | 21.99 | 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. | 1HZ4_A_BEZA784_0 (MALT REGULATORYPROTEIN) | Benzoic Acid | 4 / 6 | HIS A 246LEU A 205LEU A 250PRO A 293 | 1.72A | 20.35 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3V4T_A_ACTA504_0 (UDP-N-ACETYLGLUCOSAMINE1-CARBOXYVINYLTRANSFERASE) | Acetic acid | 3 / 3 | THR A 199VAL A 204GLU A 240 | 1.32A | 22.74 | 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. | 4XEY_A_1N1A601_2 (TYROSINE-PROTEINKINASE ABL1) | Dasatinib | 3 / 3 | MET A 130ASP A 176PHE A 103 | 1.34A | 22.55 | 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. | 4QD3_A_5AEA201_1 (PEPTIDYL-TRNAHYDROLASE) | Azacitidine | 5 / 9 | LEU A 177GLY A 174HIS A 164VAL A 148SER A 147 | 1.52A | 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. | 5HIE_C_P06C801_1 (SERINE/THREONINE-PROTEIN KINASE B-RAF) | Dabrafenib | 6 / 12 | GLY A 124PHE A 140VAL A 125ALA A 7PHE A 150GLY A 149 | 1.72A | 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. | 2FK8_A_SAMA302_0 (METHOXY MYCOLIC ACIDSYNTHASE 4) | S-Adenosylmethionine | 5 / 12 | THR A 21GLY A 146GLY A 29GLY A 149HIS A 164 | 1.36A | 21.18 | 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. | 4QB9_D_PARD500_1 (ENHANCEDINTRACELLULARSURVIVAL PROTEIN) | Paromomycin | 4 / 8 | PHE A 159SER A 10GLU A 290ASP A 295 | 1.32A | 21.83 | NoneNoneNoneDMS A1003 ( 4.7A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5B8I_C_FK5C201_3 (PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 5 / 12 | ASP A 216VAL A 204PHE A 3ILE A 213PHE A 219 | 1.62A | 16.44 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3NUV_B_ASDB126_1 (STEROIDDELTA-ISOMERASE) | 4-Androstenedione | 5 / 10 | TYR A 209SER A 267LEU A 268VAL A 204ALA A 211 | 1.71A | 17.73 | 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. | 5V21_A_SAMA1804_0 (HISTONE-LYSINEN-METHYLTRANSFERASESETD2) | S-Adenosylmethionine | 5 / 12 | GLY A 174HIS A 163TYR A 118CYH A 38LEU A 27 | 1.72A | 23.10 | NoneGWS A1001 (-3.9A)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. | 4QVQ_H_BO2H301_1 (PROTEASOME SUBUNITBETA TYPE-2PROTEASOME SUBUNITBETA TYPE-3) | Bortezomib | 5 / 11 | GLN A 74CYH A 38GLY A 23THR A 21THR A 25 | 1.74A | 19.6921.82 | 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. | 3AX7_B_SALB1336_1 (XANTHINEDEHYDROGENASE/OXIDASE) | Salicylic acid | 5 / 9 | PHE A 230THR A 201VAL A 204LEU A 208ALA A 266 | 1.65A | 14.04 | 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. | 2XN5_A_FUNA1356_2 (THYROXINE-BINDINGGLOBULIN) | Furosemide | 3 / 3 | LEU A 57ARG A 60ILE A 43 | 1.16A | 8.57 | 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. | 2Y05_A_RALA802_1 (PROSTAGLANDINREDUCTASE 1) | Raloxifene | 4 / 7 | VAL A 68ASN A 28GLY A 146VAL A 42 | 0.96A | 22.68 | 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. | 1H9Z_A_RWFA3001_1 (SERUM ALBUMIN) | Warfarin | 5 / 11 | LEU A 242LEU A 205LEU A 208SER A 267ALA A 266 | 1.60A | 17.80 | 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. | 4MXY_A_DB8A601_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE SRC) | Bosutinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.41A | 24.70 | 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. | 4MWZ_B_CQAB303_0 (PHOSPHOETHANOLAMINEN-METHYLTRANSFERASE,PUTATIVE) | Amodiaquine | 4 / 8 | GLY A 143GLY A 120GLU A 14LEU A 115 | 1.00A | 18.32 | 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. | 5HES_A_032A401_1 (MITOGEN-ACTIVATEDPROTEIN KINASEKINASE KINASE MLT) | Vemurafenib | 5 / 12 | ILE A 259ILE A 213THR A 257ALA A 260GLY A 215 | 1.41A | 20.60 | 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. | 6AWQ_A_SREA701_1 (SODIUM-DEPENDENTSEROTONINTRANSPORTER) | Sertraline | 5 / 9 | ALA A 210ILE A 213GLY A 302SER A 1GLY A 2 | 1.60A | 20.58 | 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. | 3KP2_A_PNNA5001_0 (TRANSCRIPTIONALREGULATOR TCAR) | Benzylpenicillin | 4 / 8 | ASN A 119THR A 21LEU A 67GLN A 74 | 1.14A | 19.28 | 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. | 4FO4_A_MOAA502_1 (INOSINE5'-MONOPHOSPHATEDEHYDROGENASE) | Mycophenolic acid | 4 / 8 | ASN A 151THR A 292MET A 130GLY A 109 | 1.18A | 24.41 | 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. | 5UUN_A_ACTA309_0 (GLUTATHIONES-TRANSFERASE-LIKEPROTEIN) | Acetic acid | 4 / 4 | LEU A 27GLY A 143SER A 144SER A 147 | 1.61A | 23.60 | NoneNoneGWS A1001 ( 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. | 4WOZ_F_MN9F401_0 (N-ACETYLNEURAMINATELYASE) | N-Acetyl-D-glucosamine | 4 / 5 | LEU A 30TYR A 101LEU A 177THR A 98 | 1.62A | 22.45 | 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. | 5GWX_A_SAMA301_0 (GLYCINE SARCOSINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ALA A 70GLY A 71GLY A 120SER A 121LEU A 30 | 1.42A | 21.34 | DMS A1004 ( 3.9A)DMS A1004 ( 4.7A)NoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5A5Z_A_WJZA304_0 (BETA-LACTAMASE NDM-1) | Tiopronin | 4 / 8 | VAL A 36HIS A 80CYH A 22ASN A 63 | 1.72A | 19.88 | 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. | 6JOG_A_ASCA201_0 (PHOSPHOPANTETHEINEADENYLYLTRANSFERASE) | Vitamin C | 4 / 6 | GLY A 138HIS A 163SER A 147SER A 144 | 1.43A | 20.97 | NoneGWS A1001 (-3.9A)NoneGWS A1001 ( 4.1A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5WBV_A_SAMA402_0 (HISTONE-LYSINEN-METHYLTRANSFERASEKMT5B) | S-Adenosylmethionine | 5 / 12 | SER A 123SER A 113HIS A 163PHE A 140CYH A 145 | 1.28A | 20.00 | NoneDMS A1003 ( 4.9A)GWS A1001 (-3.9A)NoneGWS A1001 (-3.4A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4MXZ_B_DB8B601_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE SRC) | Bosutinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.46A | 24.70 | 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. | 3DMH_A_SAMA384_0 (PROBABLE RIBOSOMALRNA SMALL SUBUNITMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ALA A 70ASN A 95PRO A 99VAL A 157PHE A 159 | 1.23A | 20.60 | DMS A1004 ( 3.9A)DMS A1004 ( 4.8A)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. | 5W97_C_CHDC306_0 (CYTOCHROME C OXIDASESUBUNIT 3CYTOCHROME C OXIDASESUBUNIT 7A1,MITOCHONDRIAL) | Cholic Acid | 4 / 6 | LYS A 269LEU A 268LEU A 208PHE A 219 | 1.32A | 19.239.48 | 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. | 1SG9_B_SAMB302_1 (HEMK PROTEIN) | S-Adenosylmethionine | 3 / 3 | ASP A 197PHE A 134ASN A 203 | 1.43A | 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. | 2Y7K_A_SALA1302_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 11 | GLY A 149PHE A 112GLY A 174HIS A 163ILE A 136 | 1.65A | 21.61 | NoneNoneNoneGWS A1001 (-3.9A)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. | 3OU6_C_SAMC300_0 (SAM-DEPENDENTMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ALA A 210GLY A 2SER A 1LEU A 282ALA A 206 | 1.74A | 22.73 | 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. | 2YVL_D_SAMD603_0 (HYPOTHETICAL PROTEIN) | S-Adenosylmethionine | 6 / 12 | THR A 175ILE A 136GLY A 146ALA A 173VAL A 86VAL A 148 | 1.67A | 21.64 | 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. | 2V32_C_BEZC1222_0 (PEROXIREDOXIN 6) | Benzoic Acid | 4 / 8 | THR A 199VAL A 202GLU A 290PRO A 132 | 1.54A | 18.65 | 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. | 6CI6_A_NBOA606_1 (SERUM ALBUMIN) | Nabumetone | 5 / 12 | PHE A 150VAL A 148GLY A 149CYH A 160LEU A 30 | 1.49A | 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. | 5WK9_A_CAMA503_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 7 | TYR A 101THR A 98VAL A 35VAL A 18 | 1.43A | 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. | 3JB3_A_SAMA1102_1 (STRUCTURAL PROTEINVP3) | S-Adenosylmethionine | 3 / 3 | ARG A 60ASP A 48ASP A 56 | 1.43A | 14.76 | 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. | 3TBG_A_RTZA2_1 (CYTOCHROME P450 2D6) | Thioridazine | 5 / 11 | THR A 225LEU A 227THR A 243VAL A 247VAL A 204 | 1.53A | 21.99 | 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. | 3V1N_A_BEZA288_0 (2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE) | Benzoic Acid | 5 / 8 | GLY A 146MET A 162GLY A 149ILE A 136VAL A 114 | 1.50A | 23.51 | 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. | 4MXY_B_DB8B601_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE SRC) | Bosutinib | 5 / 12 | LEU A 167VAL A 171ALA A 173LYS A 137ASP A 197 | 1.46A | 24.70 | 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. | 4EMA_A_BRLA601_2 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Rosiglitazone | 3 / 3 | PHE A 223VAL A 212ILE A 259 | 1.09A | 22.46 | 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. | 5HNZ_B_TA1B902_2 (TUBULIN BETA-2BCHAIN) | Paclitaxel | 3 / 3 | LEU A 268LEU A 208ARG A 222 | 0.89A | 20.65 | 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. | 5IKT_A_TLFA601_0 (PROSTAGLANDIN G/HSYNTHASE 2) | Tolfenamic Acid | 5 / 12 | VAL A 297LEU A 268VAL A 202ALA A 206LEU A 253 | 1.50A | 19.48 | 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. | 2Z0Y_A_SAMA300_0 (PUTATIVEUNCHARACTERIZEDPROTEIN TTHA0657) | S-Adenosylmethionine | 5 / 9 | ALA A 210VAL A 212VAL A 296ILE A 259ALA A 206 | 1.38A | 19.88 | 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. | 1H4O_A_BEZA1162_0 (PEROXIREDOXIN 5) | Benzoic Acid | 5 / 10 | PRO A 39THR A 175GLY A 174LEU A 30GLY A 149 | 1.25A | 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. | 4XUM_A_IMNA502_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Indomethacin | 4 / 7 | GLU A 290ILE A 136LEU A 177ILE A 106 | 1.52A | 23.25 | 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. | 2KCE_B_D16B568_1 (THYMIDYLATE SYNTHASE) | Raltitrexed | 5 / 12 | HIS A 163SER A 144LEU A 167GLY A 170ALA A 191 | 1.65A | 19.62 | GWS A1001 (-3.9A)GWS A1001 ( 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. | 2ZUH_A_CAMA422_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 6 | TYR A 101THR A 98VAL A 35VAL A 18 | 1.47A | 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. | 5YOD_B_BEZB201_0 (NS3 PROTEASE) | Benzoic Acid | 4 / 5 | HIS A 163ALA A 116SER A 144GLY A 146 | 1.50A | 22.98 | GWS A1001 (-3.9A)NoneGWS A1001 ( 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. | 5DPD_B_SAMB601_0 (PROTEIN LYSINEMETHYLTRANSFERASE 1) | S-Adenosylmethionine | 6 / 12 | TYR A 101LEU A 87SER A 81TRP A 31VAL A 68VAL A 20 | 1.68A | 19.39 | 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. | 6C79_A_CE3A301_1 (BETA-LACTAMASETOHO-1) | Cefotaxime | 5 / 12 | ALA A 116SER A 123ASN A 28GLY A 143ASN A 142 | 1.56A | 22.01 | NoneNoneNoneNoneGWS A1001 (-4.4A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3LM8_B_VIBB223_1 (THIAMINEPYROPHOSPHOKINASE) | Thiamine | 4 / 7 | TYR A 239LEU A 242LEU A 205CYH A 265 | 1.21A | 19.63 | None |