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| PDB ID: 5r7y Macromolecule: 3C-LIKE PROTEINASE Source Organism: SARS-CoV-2 Gene names: 1a-1brep UniProt ID: P0DTD1 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5r7y'
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. | 3A9E_B_REAB1_1 (RETINOIC ACIDRECEPTOR ALPHA) | Tretinoin | 5 / 11 | LEU A 287ILE A 281PHE A 219VAL A 202LEU A 250 | 1.38A | 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. | 4A6D_A_SAMA1350_0 (HYDROXYINDOLEO-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | TYR A 182LEU A 177GLY A 149ILE A 136PHE A 140 | 1.59A | 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. | 2OW9_A_HAEA502_1 (COLLAGENASE 3) | Acetohydroxamic Acid | 4 / 6 | LEU A 141GLU A 166HIS A 172HIS A 163 | 1.51A | 19.40 | NoneDMS A1005 (-4.0A)NoneDMS A1005 (-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. | 4LZR_A_LOCA201_1 (BROMODOMAIN-CONTAINING PROTEIN 4) | Colchicine | 4 / 8 | VAL A 297LEU A 253ASP A 248ILE A 249 | 1.07A | 20.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3IK3_A_0LIA1_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Ponatinib | 6 / 12 | LEU A 27VAL A 42ILE A 43HIS A 164LEU A 87ASP A 187 | 1.73A | 21.92 | CL A1006 ( 4.6A)NoneNoneNoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6BKK_B_308B101_0 (MATRIX PROTEIN 2) | Amantadine | 4 / 6 | SER A 121ALA A 116SER A 123SER A 147 | 1.53A | 6.71 | 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. | 1I6V_C_RFPC1640_1 (DNA-DIRECTED RNAPOLYMERASE) | Rifampicin | 5 / 12 | GLN A 107GLN A 110ASP A 295GLU A 290ILE A 200 | 1.66A | 15.91 | NoneNoneDMS A1003 ( 4.5A)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. | 2VQ5_B_LDPB1197_1 (S-NORCOCLAURINESYNTHASE) | Dopamine | 4 / 7 | LEU A 268LEU A 272PHE A 230LEU A 205 | 1.30A | 20.52 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1K6C_B_MK1B902_1 (POL POLYPROTEIN) | Indinavir | 5 / 10 | LEU A 268ALA A 206VAL A 202ILE A 249GLY A 251 | 1.59A | 18.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5IEN_B_VDYB201_1 (CDL2.2) | Calcidiol | 5 / 10 | ILE A 281LEU A 282VAL A 296LEU A 253LEU A 271 | 1.56A | 16.23 | 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. | 1ZGY_A_BRLA503_1 (PEROXISOMEPROLIFERATORACTIVATED RECEPTORGAMMA) | Rosiglitazone | 5 / 12 | GLY A 23CYH A 22LEU A 89LEU A 58HIS A 64 | 1.43A | 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. | 3MBH_A_PXLA400_1 (PUTATIVEPHOSPHOMETHYLPYRIMIDINE KINASE) | Pyridoxal | 5 / 11 | VAL A 212THR A 257GLN A 256TYR A 209VAL A 296 | 1.77A | 21.89 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 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_B_486B1_2 (GLUCOCORTICOIDRECEPTOR) | Mifepristone | 5 / 12 | MET A 82GLY A 79VAL A 77CYH A 44CYH A 38 | 1.46A | 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. | 5LW1_H_ADNH401_1 (MITOGEN-ACTIVATEDPROTEIN KINASE 8) | Adenosine | 5 / 9 | VAL A 42LEU A 67ASN A 63VAL A 77LEU A 89 | 1.63A | 19.34 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5TUD_D_ERMD1201_1 (5-HYDROXYTRYPTAMINERECEPTOR 2B,SOLUBLECYTOCHROME B562CHIMERA) | Ergotamine | 5 / 12 | ASP A 295VAL A 204PHE A 3VAL A 212LEU A 282 | 1.45A | 21.54 | DMS A1003 ( 4.5A)NoneNoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5O96_C_SAMC501_0 (RIBOSOMAL RNA SMALLSUBUNITMETHYLTRANSFERASE E) | S-Adenosylmethionine | 5 / 7 | LEU A 253SER A 254LEU A 205THR A 292ALA A 206 | 1.35A | 20.06 | 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. | 2AVD_B_SAMB601_1 (CATECHOL-O-METHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | SER A 284GLU A 290ASP A 197 | 1.33A | 22.26 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5HPU_C_IPHC101_0 (INSULIN, CHAIN AINSULIN, CHAIN B) | Phenol | 4 / 6 | CYH A 22LEU A 58CYH A 38LEU A 87 | 1.69A | 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. | 4J4V_D_SVRD301_1 (NUCLEOCAPSID PROTEIN) | Suramin | 5 / 11 | GLY A 149ARG A 298ALA A 7VAL A 114ILE A 106 | 1.64A | 21.02 | NoneDMS 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. | 3EL5_B_1UNB201_1 (PROTEASE) | Nelfinavir | 5 / 10 | ASP A 295ASP A 289VAL A 202ILE A 200ILE A 106 | 1.54A | 18.53 | DMS A1003 ( 4.5A)NoneNoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3W1W_A_CHDA1502_0 (FERROCHELATASE,MITOCHONDRIAL) | Cholic Acid | 5 / 12 | MET A 276LEU A 271LEU A 287SER A 284VAL A 212 | 1.68A | 20.69 | 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. | 6HD4_A_STIA604_1 (TYROSINE-PROTEINKINASE ABL1) | Imatinib | 4 / 5 | TYR A 126VAL A 204PHE A 150GLY A 149 | 1.47A | 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. | 4IG3_A_T27A601_1 (REVERSETRANSCRIPTASE/RIBONUCLEASE H) | Rilpivirine | 5 / 12 | PRO A 99LEU A 32VAL A 91VAL A 18TYR A 37 | 1.77A | 18.02 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3RIA_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 136GLY A 109THR A 292PHE A 294ILE A 106 | 1.51A | 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. | 1N13_J_AG2J7013_1 (PYRUVOYL-DEPENDENTARGININEDECARBOXYLASE BETACHAINPYRUVOYL-DEPENDENTARGININEDECARBOXYLASE ALPHACHAIN) | Agmatine | 4 / 7 | LEU A 58LEU A 89GLY A 79GLU A 55 | 1.60A | 11.4715.36 | 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. | 11GS_B_EAAB211_1 (GLUTATHIONES-TRANSFERASE) | Etacrynic acid | 4 / 7 | GLY A 149ILE A 106TYR A 182GLY A 174 | 1.29A | 21.21 | 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. | 1GTI_C_CCSC47_0 (GLUTATHIONES-TRANSFERASE) | Carbocisteine | 4 / 6 | LEU A 177GLY A 179LYS A 88TYR A 37 | 1.32A | 22.33 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4AC9_C_DXCC1478_0 (MJ0495-LIKE PROTEIN) | Deoxycholic Acid | 4 / 7 | GLY A 258THR A 257SER A 267PHE A 219 | 1.33A | 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. | 2ZZM_A_SAMA401_0 (UNCHARACTERIZEDPROTEIN MJ0883) | S-Adenosylmethionine | 5 / 12 | ARG A 217GLY A 258ILE A 213LEU A 220PHE A 219 | 1.47A | 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. | 5TUD_A_ERMA2001_2 (5-HYDROXYTRYPTAMINERECEPTOR 2B,SOLUBLECYTOCHROME B562CHIMERA) | Ergotamine | 4 / 7 | THR A 175LEU A 32VAL A 68GLU A 14 | 1.28A | 21.54 | 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. | 5KOC_B_SAMB401_0 (PAVINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | SER A 123GLY A 143SER A 147THR A 26GLN A 19 | 1.43A | 22.11 | None CL A1006 (-3.2A)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. | 3BVB_B_017B401_1 (PROTEASE(RETROPEPSIN)) | Darunavir | 5 / 12 | LEU A 32GLY A 29VAL A 91GLY A 71PRO A 96 | 1.29A | 15.62 | NoneNoneNoneDMS A1004 ( 4.7A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2BXP_A_P1ZA3001_1 (SERUM ALBUMIN) | Phenylbutazone | 6 / 12 | LEU A 208PHE A 219LEU A 205ALA A 260ILE A 259ALA A 266 | 1.51A | 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. | 1GTI_F_CCSF47_0 (GLUTATHIONES-TRANSFERASE) | Carbocisteine | 4 / 5 | LEU A 177GLY A 179LYS A 88TYR A 37 | 1.32A | 22.33 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5G5G_A_ACTA1231_0 (PUTATIVE XANTHINEDEHYDROGENASE YAGRMOLYBDENUM-BINDINGSU SUBUNITPUTATIVE XANTHINEDEHYDROGENASE YAGTIRON-SULFUR-BINDINGSUBUNIT) | Acetic acid | 3 / 3 | ARG A 298THR A 292ASP A 295 | 1.76A | 21.0223.35 | DMS A1003 (-3.7A)NoneDMS A1003 ( 4.5A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 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_A_SAMA301_0 (N5-GLUTAMINEMETHYLTRANSFERASE,HEMK) | S-Adenosylmethionine | 5 / 12 | THR A 257GLY A 251ALA A 255PHE A 230ALA A 206 | 1.32A | 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. | 5I8F_A_ML1A211_1 (PHENOLIC OXIDATIVECOUPLING PROTEIN) | Melatonin | 4 / 6 | VAL A 233LYS A 236ALA A 234TYR A 239 | 1.57A | 17.86 | 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. | 5UBB_A_SAMA301_1 (ALPHA N-TERMINALPROTEINMETHYLTRANSFERASE 1B) | S-Adenosylmethionine | 4 / 5 | GLY A 179ARG A 40ASP A 176GLN A 107 | 1.23A | 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. | 3GWX_A_EPAA1_2 (PROTEIN (PEROXISOMEPROLIFERATORACTIVATED RECEPTOR(PPAR-DELTA))) | Icosapent | 5 / 12 | CYH A 22THR A 24THR A 25HIS A 41LEU A 27 | 1.33A | 21.84 | NoneNoneJFM A1001 ( 3.9A)JFM A1001 (-3.8A) CL A1006 ( 4.6A) | ||
| 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. | 4A7B_A_HAEA1273_1 (COLLAGENASE 3) | Acetohydroxamic Acid | 4 / 6 | LEU A 141GLU A 166HIS A 172HIS A 163 | 1.56A | 18.79 | NoneDMS A1005 (-4.0A)NoneDMS A1005 (-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. | 4ZJ8_A_SUVA2001_1 (HUMAN OX1R FUSIONPROTEIN TO P.ABYSIIGLYCOGEN SYNTHASE) | Suvorexant | 5 / 12 | ALA A 206VAL A 202GLN A 127PHE A 8ASN A 151 | 1.56A | 20.63 | NoneNoneDMS A1003 (-3.5A)DMS A1003 ( 3.8A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5N0W_A_SAMA501_0 (PEPTIDEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ILE A 136TYR A 182GLY A 174HIS A 164TYR A 126 | 1.39A | 22.48 | 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. | 4MS4_A_2C0A501_1 (GAMMA-AMINOBUTYRICACID TYPE B RECEPTORSUBUNIT 1) | Baclofen | 4 / 8 | SER A 147SER A 144TYR A 126GLU A 166 | 1.59A | 21.18 | NoneDMS A1005 (-3.7A)NoneDMS A1005 (-4.0A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3KEC_A_HAEA272_1 (COLLAGENASE 3) | Acetohydroxamic Acid | 4 / 5 | LEU A 141GLU A 166HIS A 172HIS A 163 | 1.57A | 18.42 | NoneDMS A1005 (-4.0A)NoneDMS A1005 (-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. | 1GTI_D_CCSD47_0 (GLUTATHIONES-TRANSFERASE) | Carbocisteine | 4 / 7 | LEU A 177GLY A 179LYS A 88TYR A 37 | 1.31A | 22.33 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6HD4_B_STIB602_1 (TYROSINE-PROTEINKINASE ABL1) | Imatinib | 4 / 6 | LEU A 30TYR A 37VAL A 186PHE A 159 | 1.34A | 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. | 1N13_H_AG2H7012_1 (PYRUVOYL-DEPENDENTARGININEDECARBOXYLASE ALPHACHAINPYRUVOYL-DEPENDENTARGININEDECARBOXYLASE BETACHAIN) | Agmatine | 4 / 6 | GLU A 55LEU A 58LEU A 89GLY A 79 | 1.61A | 15.3611.47 | 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. | 4KOU_A_C04A207_1 (UNCHARACTERIZEDPROTEIN) | Cefixime | 3 / 3 | GLY A 109GLU A 290THR A 111 | 0.98A | 18.64 | 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. | 3RQW_C_ACHC323_0 (ELIC PENTAMERICLIGAND GATED IONCHANNEL FROM ERWINIACHRYSANTHEMI) | Acetylcholine | 4 / 8 | PHE A 159TYR A 101TYR A 37LEU A 30 | 1.30A | 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. | 3RHW_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 106ILE A 136GLY A 109THR A 292PHE A 294 | 1.51A | 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. | 4D1Y_A_RBFA1176_1 (PUTATIVE PROTEASE I) | Riboflavin | 4 / 8 | ASN A 214TRP A 207GLN A 299THR A 292 | 1.57A | 19.16 | 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. | 4AE1_B_NCAB1536_0 (DIPHTHERIA TOXIN) | Nicotinamide | 4 / 5 | HIS A 164GLY A 174TYR A 182GLU A 178 | 1.71A | 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. | 3RQW_I_ACHI323_0 (ELIC PENTAMERICLIGAND GATED IONCHANNEL FROM ERWINIACHRYSANTHEMI) | Acetylcholine | 4 / 8 | PHE A 159TYR A 101TYR A 37LEU A 30 | 1.30A | 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. | 1OQ5_A_CELA701_2 (CARBONIC ANHYDRASEII) | Celecoxib | 4 / 4 | HIS A 41VAL A 42THR A 175LEU A 30 | 1.62A | 22.99 | JFM A1001 (-3.8A)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. | 2IEO_A_017A402_1 (PROTEASE) | Darunavir | 5 / 12 | LEU A 32GLY A 29VAL A 91GLY A 71PRO A 96 | 1.32A | 14.78 | NoneNoneNoneDMS A1004 ( 4.7A)None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1QZR_B_CDXB901_1 (DNA TOPOISOMERASE II) | Dexrazoxane | 4 / 7 | HIS A 41THR A 25ASN A 119GLN A 19 | 1.37A | 18.76 | JFM A1001 (-3.8A)JFM A1001 ( 3.9A)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. | 6DJ2_B_AB1B201_1 (HIV-1 PROTEASE) | Lopinavir | 5 / 12 | ASP A 295ASP A 289VAL A 202ILE A 200ILE A 106 | 1.37A | 15.62 | DMS A1003 ( 4.5A)NoneNoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DJ1_B_AB1B201_1 (HIV-1 PROTEASE) | Lopinavir | 5 / 12 | ASP A 295ASP A 289VAL A 202ILE A 200ILE A 106 | 1.37A | 15.62 | DMS A1003 ( 4.5A)NoneNoneNoneNone | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5EWJ_D_QELD503_1 (NMDA GLUTAMATERECEPTOR SUBUNITGLUTAMATE RECEPTORIONOTROPIC, NMDA 2B) | Ifenprodil | 5 / 12 | TYR A 239THR A 198LEU A 286PRO A 132ILE A 200 | 1.61A | 20.0520.95 | 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. | 4DO3_A_0LAA602_1 (FATTY-ACID AMIDEHYDROLASE 1) | Carprofen | 4 / 5 | LEU A 242LEU A 250MET A 264TRP A 207 | 1.80A | 19.65 | 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. | 3RIF_A_IVMA403_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 106ILE A 136GLY A 109THR A 292PHE A 294 | 1.50A | 23.59 | None |