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| PDB ID: 2jze Macromolecule: REPLICASE POLYPROTEIN 1AB Source Organism: SARSr-CoV Gene names: 1a-1brep UniProt ID: P0C6X7 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2jze'
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. | 5O96_B_SAMB501_0 (RIBOSOMAL RNA SMALLSUBUNITMETHYLTRANSFERASE E) | S-Adenosylmethionine | 5 / 9 | ARG A 625LEU A 603GLY A 527LEU A 596ALA A 629 | 1.56A | 19.68 | 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. | 1QZF_A_FOLA605_0 (BIFUNCTIONALDIHYDROFOLATEREDUCTASE-THYMIDYLATE SYNTHASE) | Folic Acid | 5 / 12 | ALA A 540LEU A 546ILE A 608LEU A 627THR A 543 | 1.43A | 13.39 | 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. | 3RI5_A_IVMA349_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 13 | ILE A 608PRO A 607MET A 624THR A 528ILE A 549 | 1.40A | 15.98 | 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. | 4AC9_C_DXCC1479_0 (MJ0495-LIKE PROTEIN) | Deoxycholic Acid | 4 / 5 | THR A 594ILE A 592GLU A 587PHE A 581 | 1.63A | 15.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3IK6_B_HCZB262_1 (GLUTAMATE RECEPTOR 2) | Hydrochlorothiazide | 5 / 10 | ILE A 608PRO A 607GLY A 609LEU A 627SER A 626 | 1.39A | 19.23 | 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. | 4FGZ_B_CQAB302_0 (PHOSPHOETHANOLAMINEN-METHYLTRANSFERASE) | Amodiaquine | 4 / 8 | SER A 626GLU A 619GLU A 618GLY A 614 | 1.48A | 18.15 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2IZQ_A_DVAA8_0 (GRAMICIDIN D) | L-Valine | 3 / 3 | VAL A 635TRP A 531VAL A 529 | 1.53A | 6.56 | 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. | 3UJ6_A_SAMA300_0 (PHOSPHOETHANOLAMINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ILE A 567GLY A 572ILE A 569ASP A 575LEU A 596 | 1.26A | 18.15 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5CSW_A_P06A801_2 (SERINE/THREONINE-PROTEIN KINASE B-RAF) | Dabrafenib | 3 / 3 | PHE A 581ILE A 592ASP A 552 | 0.90A | 18.66 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 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 567ILE A 573GLY A 572ILE A 549PRO A 548 | 1.30A | 15.98 | 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. | 4X5J_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 6 / 12 | ILE A 593ALA A 629LEU A 599LYS A 595THR A 605ILE A 608 | 1.80A | 23.49 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2NYR_B_SVRB401_1 (NAD-DEPENDENTDEACETYLASESIRTUIN-5) | Suramin | 5 / 12 | ALA A 590THR A 594ALA A 629ALA A 631ILE A 608 | 1.26A | 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. | 1RD7_A_FOLA161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599THR A 605ILE A 608 | 1.40A | 22.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3HJ3_C_MTXC613_1 (CHAIN A, CRYSTALSTRUCTURE OF DHFR) | Methotrexate | 5 / 12 | VAL A 589LEU A 617THR A 605LEU A 648TYR A 583 | 1.46A | 13.39 | 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. | 4Q0D_A_MTXA604_1 (BIFUNCTIONALDIHYDROFOLATEREDUCTASE-THYMIDYLATE SYNTHASE) | Methotrexate | 5 / 12 | VAL A 633ALA A 631LEU A 546LEU A 596ILE A 549 | 1.48A | 13.39 | 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. | 3N61_B_H4BB760_1 (NITRIC OXIDESYNTHASE) | Sapropterin | 4 / 7 | TRP A 531SER A 634VAL A 641VAL A 632 | 1.39A | 15.93 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5YK2_A_ERYA501_0 (PROBABLE CONSERVEDATP-BINDING PROTEINABC TRANSPORTER) | Erythromycin | 5 / 11 | ARG A 622GLY A 609ALA A 620ILE A 593VAL A 589 | 1.73A | 16.71 | 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. | 3RI5_A_IVMA349_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 13 | ILE A 608MET A 624THR A 528SER A 634ILE A 549 | 1.52A | 15.98 | 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. | 5E72_A_SAMA400_0 (N2,N2-DIMETHYLGUANOSINETRNAMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ILE A 556PHE A 581ILE A 569PRO A 548LEU A 596 | 1.36A | 17.39 | 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. | 1WRK_B_TFPB203_1 (TROPONIN C, SLOWSKELETAL AND CARDIACMUSCLES) | Trifluoperazine | 4 / 5 | PHE A 580LEU A 537PHE A 582MET A 557 | 1.67A | 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. | 3NLR_B_H4BB760_1 (NITRIC OXIDESYNTHASE, BRAIN) | Sapropterin | 4 / 8 | TRP A 531SER A 634VAL A 641VAL A 632 | 1.42A | 15.93 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4KY8_A_MTXA603_1 (BIFUNCTIONALTHYMIDYLATESYNTHASE-DIHYDROFOLATE REDUCTASE) | Methotrexate | 5 / 12 | VAL A 633ALA A 631LEU A 546LEU A 596ILE A 549 | 1.47A | 13.39 | 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. | 5HW8_D_FK5D201_1 (FK506-BINDINGPROTEIN 1) | Tacrolimus | 5 / 11 | VAL A 589ILE A 592TYR A 583ILE A 556ILE A 549 | 1.38A | 18.40 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ODQ_D_ACTD202_0 (METHYL-VIOLOGENREDUCINGHYDROGENASE, SUBUNITD) | Acetic acid | 3 / 3 | HIS A 539GLU A 535TRP A 531 | 1.54A | 17.12 | 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. | 4X3M_A_ADNA301_1 (RNA 2'-O RIBOSEMETHYLTRANSFERASE) | Adenosine | 5 / 9 | PRO A 607ILE A 608MET A 624VAL A 604THR A 605 | 1.63A | 19.22 | 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. | 5IEO_A_VDYA206_2 (CDL2.3A) | Calcidiol | 4 / 8 | ILE A 573ILE A 560TYR A 583LEU A 596 | 1.22A | 16.89 | 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. | 6H7J_A_5FWA401_0 (BETA-1 ADRENERGICRECEPTOR) | Isoprenaline | 5 / 12 | THR A 643VAL A 641SER A 637SER A 636SER A 530 | 1.67A | 17.31 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4O7G_A_ASCA303_0 (PROBABLETRANSMEMBRANEASCORBATEFERRIREDUCTASE 2) | Vitamin C | 4 / 7 | HIS A 613ILE A 608TYR A 583ASN A 597 | 1.68A | 20.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4MMC_A_29JA603_1 (TRANSPORTER) | Desvenlafaxine | 5 / 10 | TYR A 583ASP A 552VAL A 611SER A 585GLY A 609 | 1.63A | 16.57 | 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. | 3TWP_A_SALA404_1 (ANTHRANILATEPHOSPHORIBOSYLTRANSFERASE) | Salicylic acid | 4 / 7 | ASN A 616ALA A 620TYR A 647ARG A 625 | 1.57A | 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. | 4KM0_A_CP6A201_1 (DIHYDROFOLATEREDUCTASE) | Pyrimethamine | 5 / 10 | ILE A 569PHE A 582THR A 559LEU A 537THR A 584 | 1.61A | 23.98 | 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. | 5V02_R_657R201_0 (CALMODULIN-1SMALL CONDUCTANCECALCIUM-ACTIVATEDPOTASSIUM CHANNELPROTEIN 2) | Riluzole | 5 / 10 | ALA A 631LEU A 603VAL A 604LEU A 596ILE A 608 | 1.35A | 23.5318.40 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3RHW_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 608PRO A 607MET A 624THR A 528ILE A 549 | 1.40A | 15.98 | 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. | 3ILU_E_HFZE800_1 (GLUTAMATE RECEPTOR 2) | Hydroflumethiazide | 5 / 11 | ILE A 608PRO A 607GLY A 609LEU A 627SER A 626 | 1.36A | 19.23 | 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. | 2CEO_A_T44A1395_1 (THYROXINE-BINDINGGLOBULIN) | Levothyroxine | 5 / 11 | LEU A 627LEU A 603LEU A 599ASN A 600LEU A 596 | 1.43A | 15.30 | 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. | 4MM7_A_29JA603_1 (TRANSPORTER) | Desvenlafaxine | 5 / 10 | TYR A 583ASP A 552VAL A 611SER A 585GLY A 609 | 1.78A | 17.42 | 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. | 4ACB_C_DXCC1479_0 (TRANSLATIONELONGATION FACTORSELB) | Deoxycholic Acid | 4 / 5 | THR A 594ILE A 592GLU A 587PHE A 581 | 1.61A | 15.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5KOX_A_RFPA502_2 (PENTACHLOROPHENOL4-MONOOXYGENASE) | Rifampicin | 3 / 3 | VAL A 529ARG A 579PRO A 602 | 0.82A | 15.42 | 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. | 3BBT_D_FMMD91_1 (RECEPTORTYROSINE-PROTEINKINASE ERBB-4) | Lapatinib | 5 / 12 | VAL A 604ALA A 540LEU A 546LEU A 533PHE A 582 | 1.55A | 16.92 | 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. | 3EM0_B_CHDB500_0 (ILEAL BILEACID-BINDING PROTEIN) | Cholic Acid | 4 / 7 | THR A 643SER A 530VAL A 641THR A 642 | 1.35A | 21.38 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5MUR_B_PFLB407_1 (PROTON-GATED IONCHANNEL) | Propofol | 4 / 7 | PRO A 548ILE A 608MET A 624THR A 605 | 1.30A | 19.66 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5J7W_D_MTXD402_1 (THYMIDYLATE SYNTHASE) | Methotrexate | 5 / 12 | GLU A 619LEU A 648GLY A 609PHE A 615ILE A 593 | 1.43A | 17.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2KOT_B_ANWB99_0 (PROTEIN S100-A13) | Amlexanox | 4 / 8 | ALA A 620VAL A 589PHE A 615THR A 612 | 1.49A | 21.97 | 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. | 5ESL_A_1YNA701_2 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 4 / 5 | ALA A 640TYR A 644GLY A 572LEU A 627 | 1.27A | 12.97 | 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. | 3UQB_A_FK5A114_1 (UBIQUITIN-LIKEPROTEIN SMT3,PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 4 / 8 | VAL A 589ILE A 592TYR A 583ILE A 549 | 1.36A | 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. | 2VUF_A_FUAA2001_1 (SERUM ALBUMIN) | Fusidic Acid | 5 / 12 | LEU A 596PHE A 582TYR A 583ILE A 592GLY A 609 | 1.53A | 12.93 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6FBV_D_FI8D1904_0 (DNA-DIRECTED RNAPOLYMERASE SUBUNITBETADNA-DIRECTED RNAPOLYMERASE SUBUNITBETA') | Fidaxomicin | 4 / 8 | MET A 557ILE A 560VAL A 611SER A 634 | 1.37A | 7.39 | 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. | 3IJX_B_HCZB800_1 (GLUTAMATE RECEPTOR 2) | Hydrochlorothiazide | 5 / 10 | LEU A 627SER A 626ILE A 608PRO A 607GLY A 609 | 1.36A | 19.23 | 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. | 2FUM_A_MIXA539_1 (PROBABLESERINE/THREONINE-PROTEIN KINASE PKNB) | Mitoxantrone | 5 / 12 | LEU A 648GLY A 646ALA A 621VAL A 633ASP A 639 | 1.46A | 19.08 | 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. | 3N9J_A_EAAA210_1 (GLUTATHIONES-TRANSFERASE P) | Etacrynic acid | 4 / 8 | TYR A 644VAL A 633ARG A 625GLY A 527 | 1.47A | 21.03 | 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. | 1S19_A_MC9A500_0 (VITAMIN D3 RECEPTOR) | Calcipotriol | 5 / 12 | LEU A 546LEU A 537ILE A 556TYR A 564VAL A 574 | 1.19A | 19.77 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ECO_A_LEUA602_0 (JASMONIC ACID-AMIDOSYNTHETASE JAR1) | L-Leucine | 4 / 6 | THR A 543ALA A 540VAL A 578HIS A 539 | 1.14A | 12.94 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1Q6I_B_FK5B401_1 (FKBP-TYPEPEPTIDYL-PROLYLCIS-TRANS ISOMERASEFKPA) | Tacrolimus | 5 / 10 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.62A | 16.59 | 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. | 5D75_A_FK5A301_1 (PEPTIDYL-PROLYLCIS-TRANS ISOMERASEFKBP3) | Tacrolimus | 5 / 11 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.62A | 22.88 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4CD2_A_FOLA207_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 608ILE A 549PHE A 580LEU A 546THR A 612 | 1.22A | 18.10 | 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. | 3BXO_A_SAMA238_0 (N,N-DIMETHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ALA A 620MET A 624ARG A 625TYR A 647LEU A 648 | 1.51A | 19.57 | 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. | 4Y0Q_A_PX9A201_1 (BETA-LACTOGLOBULIN) | Pramocaine | 3 / 3 | LYS A 563ILE A 560ILE A 549 | 0.96A | 20.25 | 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. | 3QXT_A_MTXA2000_1 (ANTI-METHOTREXATECDR1-3 GRAFT VHH) | Methotrexate | 5 / 12 | VAL A 604ALA A 631SER A 634SER A 530MET A 624 | 1.79A | 22.67 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4QA2_A_SHHA404_2 (HISTONE DEACETYLASE8) | Vorinostat | 3 / 3 | PRO A 607MET A 606TYR A 610 | 1.48A | 17.93 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5PHH_A_LDPA414_1 (LYSINE-SPECIFICDEMETHYLASE 4D) | Dopamine | 4 / 6 | GLU A 541ALA A 540LEU A 537TYR A 564 | 1.63A | 18.33 | 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. | 5N0O_A_SAMA501_1 (PEPTIDEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | ALA A 555GLN A 561THR A 559 | 1.38A | 13.20 | 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. | 4QLF_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 11 | ALA A 540LEU A 546ILE A 608LEU A 627THR A 543 | 1.68A | 23.33 | 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. | 2XN6_A_T44A1370_1 (THYROXINE-BINDINGGLOBULIN) | Levothyroxine | 5 / 10 | LEU A 627LEU A 603LEU A 599ASN A 600LEU A 596 | 1.44A | 16.8114.95 | 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. | 5J7W_C_MTXC402_1 (THYMIDYLATE SYNTHASE) | Methotrexate | 5 / 12 | GLU A 619LEU A 648GLY A 609PHE A 615ILE A 593 | 1.43A | 17.11 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1CD2_A_FOLA307_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 546THR A 605ILE A 608 | 1.30A | 18.10 | 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. | 4YDQ_B_HFGB802_1 (PROLINE--TRNA LIGASE) | Halofuginone | 3 / 3 | GLU A 535THR A 543HIS A 539 | 1.35A | 12.45 | 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. | 5OG9_B_TESB502_1 (-) | Testosterone | 5 / 12 | LEU A 599LEU A 546ILE A 593PRO A 630ALA A 631 | 1.52A | 15.08 | 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. | 1R9O_A_FLPA501_1 (CYTOCHROME P450 2C9) | Flurbiprofen | 6 / 12 | VAL A 633ILE A 593LEU A 627GLY A 609ALA A 620LEU A 648 | 1.66A | 16.54 | 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. | 4X3M_B_ADNB301_1 (RNA 2'-O RIBOSEMETHYLTRANSFERASE) | Adenosine | 5 / 9 | PRO A 607ILE A 608MET A 624VAL A 604THR A 605 | 1.61A | 19.22 | 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. | 3ILU_B_HFZB800_1 (GLUTAMATE RECEPTOR 2) | Hydroflumethiazide | 5 / 10 | LEU A 627SER A 626ILE A 608PRO A 607GLY A 609 | 1.35A | 19.23 | 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. | 4XUM_A_IMNA502_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Indomethacin | 4 / 7 | GLU A 571ILE A 569LEU A 533ILE A 549 | 1.40A | 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. | 3KW4_A_TICA600_1 (CYTOCHROME P450 2B4) | Ticlopidine | 5 / 11 | ALA A 540GLU A 542THR A 543VAL A 632GLY A -4 | 1.36A | 13.89 | 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. | 1FDU_D_ESTD352_1 (17-BETA-HYDROXYSTEROID DEHYDROGENASE) | Estradiol | 4 / 6 | VAL A 632GLY A 527TYR A 644GLU A 535 | 1.41A | 16.85 | 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. | 3L8L_B_DVAB8_0 (GRAMICIDIN D) | L-Valine | 3 / 3 | VAL A 529VAL A 635TRP A 531 | 1.65A | 6.56 | 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. | 1HRK_A_CHDA1502_0 (FERROCHELATASE) | Cholic Acid | 4 / 8 | ARG A 625VAL A 633GLY A 527MET A -1 | 1.36A | 16.48 | 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. | 5YU9_B_1E8B1101_1 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Ibrutinib | 5 / 12 | VAL A 589ALA A 620LEU A 627ASP A 552THR A 605 | 1.54A | 17.63 | 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. | 5K50_A_ACTA1403_0 (L-THREONINE3-DEHYDROGENASE) | Acetic acid | 4 / 5 | MET A 624VAL A 589GLY A 609ALA A 620 | 1.69A | 19.49 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6B58_A_ACTA608_0 (FUMARATE REDUCTASEFLAVOPROTEIN SUBUNIT) | Acetic acid | 3 / 3 | GLY A -4THR A 543GLU A 542 | 0.93A | 13.07 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2DDW_B_PXLB1005_1 (PYRIDOXINE KINASE) | Pyridoxal | 4 / 7 | LEU A 603THR A 605PRO A 548GLY A 609 | 1.43A | 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. | 5LW1_B_ADNB401_1 (MITOGEN-ACTIVATEDPROTEIN KINASE 8) | Adenosine | 5 / 9 | ILE A 573GLY A 572VAL A 574ILE A 560MET A 547 | 1.43A | 18.40 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1A29_A_TFPA154_1 (CALMODULIN) | Trifluoperazine | 5 / 10 | GLU A 542GLU A 541ALA A 538LEU A 537MET A 547 | 1.60A | 18.93 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5ODR_D_ACTD202_0 (METHYL-VIOLOGENREDUCINGHYDROGENASE, SUBUNITD) | Acetic acid | 3 / 3 | HIS A 539GLU A 535TRP A 531 | 1.56A | 17.12 | 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. | 3GV1_B_BEZB303_0 (DISULFIDEINTERCHANGE PROTEIN) | Benzoic Acid | 4 / 4 | LEU A 537ALA A 540VAL A 604PRO A 548 | 1.71A | 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. | 4MME_A_29QA603_1 (TRANSPORTER) | Mazindol | 5 / 9 | TYR A 583ASP A 552VAL A 611SER A 585GLY A 609 | 1.68A | 16.57 | 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. | 4MMF_A_29QA603_1 (TRANSPORTER) | Mazindol | 5 / 9 | TYR A 583ASP A 552VAL A 611SER A 585GLY A 609 | 1.66A | 16.57 | 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. | 1WRL_C_TFPC208_1 (TROPONIN C, SLOWSKELETAL AND CARDIACMUSCLES) | Trifluoperazine | 4 / 5 | PHE A 580LEU A 537PHE A 582MET A 557 | 1.73A | 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. | 2BTE_A_LEUA1894_0 (AMINOACYL-TRNASYNTHETASE) | L-Leucine | 4 / 8 | ASP A 552SER A 585TYR A 583HIS A 613 | 1.17A | 10.41 | 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. | 2CD2_A_FOLA307_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 608ILE A 549PHE A 580LEU A 546THR A 612 | 1.20A | 18.10 | 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. | 4PTJ_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599THR A 605ILE A 608 | 1.46A | 22.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4R20_A_AERA602_1 (CYTOCHROME P450FAMILY 17POLYPEPTIDE 2) | Abiraterone | 4 / 8 | ILE A 549GLU A 571GLY A 572SER A 591 | 0.93A | 14.17 | 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. | 5ODI_D_ACTD202_0 (METHYL-VIOLOGENREDUCINGHYDROGENASE, SUBUNITD) | Acetic acid | 3 / 3 | HIS A 539GLU A 535TRP A 531 | 1.52A | 17.12 | 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. | 2OIP_A_MTXA605_1 (CHAIN A, CRYSTALSTRUCTURE OF DHFR) | Methotrexate | 5 / 12 | VAL A 589LEU A 617THR A 605LEU A 648TYR A 583 | 1.49A | 14.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5MZJ_A_TEPA2401_1 (ADENOSINE RECEPTORA2A,SOLUBLECYTOCHROMEB562,ADENOSINERECEPTOR A2A) | Theophylline | 4 / 8 | LEU A 596PHE A 581MET A 551ILE A 549 | 1.38A | 15.59 | 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. | 6BZO_C_FI8C1201_0 (DNA-DIRECTED RNAPOLYMERASE SUBUNITBETA) | Fidaxomicin | 5 / 12 | MET A 551THR A 605VAL A 604VAL A 633VAL A 578 | 1.68A | 7.32 | 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. | 1VPT_A_SAMA400_0 (VP39) | S-Adenosylmethionine | 5 / 12 | ILE A 608GLY A 609GLY A 614ALA A 621LEU A 627 | 1.27A | 18.79 | 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. | 4O7G_B_ASCB304_0 (PROBABLETRANSMEMBRANEASCORBATEFERRIREDUCTASE 2) | Vitamin C | 4 / 6 | HIS A 613ILE A 608TYR A 583ASN A 597 | 1.74A | 20.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4PD9_A_ADNA501_2 (NUPC FAMILY PROTEIN) | Adenosine | 3 / 3 | THR A 528ASN A 616PHE A 615 | 0.83A | 14.62 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3IA4_A_MTXA164_2 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 4 / 4 | ILE A 549PHE A 580ILE A 560THR A 605 | 1.41A | 21.95 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3VFJ_A_ACTA410_0 (MALTOSE-BINDINGPERIPLASMIC PROTEIN,C-TERMINAL FUSED BYCYS-LYS-D-ALA-D-ALA) | Acetic acid | 4 / 4 | LYS A 563ALA A 538GLU A 541LEU A 537 | 1.29A | 16.22 | 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. | 3RHW_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 608MET A 624THR A 528SER A 634ILE A 549 | 1.52A | 15.98 | 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. | 4P3Q_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 567PHE A 582ILE A 556PRO A 548ILE A 560 | 1.42A | 22.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4TVT_A_ASCA301_0 (THAUMATIN-1) | Vitamin C | 3 / 3 | THR A 594ASN A 597SER A 598 | 1.17A | 19.52 | 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. | 1YAT_A_FK5A108_1 (FK506 BINDINGPROTEIN) | Tacrolimus | 5 / 11 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.66A | 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. | 2QEI_A_CXXA802_1 (TRANSPORTER) | Clomipramine | 4 / 6 | SER A 598ARG A 579PHE A 581ILE A 573 | 1.68A | 12.91 | 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. | 4UYM_A_VORA590_1 (14-ALPHA STEROLDEMETHYLASE) | Voriconazole | 4 / 7 | TYR A 583ALA A 590SER A 626LEU A 596 | 1.13A | 14.70 | 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. | 3RHW_A_IVMA348_0 (AVERMECTIN-SENSITIVEGLUTAMATE-GATEDCHLORIDE CHANNELGLUCL ALPHA) | Ivermectin | 5 / 12 | ILE A 549PRO A 548ILE A 567ILE A 573GLY A 572 | 1.30A | 15.98 | 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. | 2BL9_A_CP6A1240_1 (DIHYDROFOLATEREDUCTASE-THYMIDYLATE SYNTHASE) | Pyrimethamine | 5 / 12 | ILE A 593ALA A 629LEU A 546ILE A 549ILE A 608 | 1.45A | 20.66 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2ZUL_A_SAMA376_1 (PROBABLE RIBOSOMALRNA SMALL SUBUNITMETHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | SER A 598GLU A 587ASP A 552 | 1.43A | 17.05 | 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. | 2OIP_C_MTXC613_1 (CHAIN A, CRYSTALSTRUCTURE OF DHFR) | Methotrexate | 5 / 12 | VAL A 589LEU A 617THR A 605LEU A 648TYR A 583 | 1.46A | 14.53 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 2YGQ_A_PCFA1275_0 (WNT INHIBITORYFACTOR 1) | Colfosceril palmitate | 5 / 12 | ILE A 556ILE A 560ILE A 608PRO A 607VAL A 574 | 1.42A | 16.08 | 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. | 2ZW9_B_SAMB801_1 (LEUCINE CARBOXYLMETHYLTRANSFERASE 2) | S-Adenosylmethionine | 4 / 8 | ILE A 608SER A 598TYR A 583SER A 591 | 1.26A | 12.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3HJ3_D_MTXD615_1 (CHAIN A, CRYSTALSTRUCTURE OF DHFR) | Methotrexate | 5 / 12 | VAL A 589LEU A 617THR A 605LEU A 648TYR A 583 | 1.38A | 13.39 | 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. | 2ZMB_A_PXBA692_1 (LACTOTRANSFERRIN) | Parecoxib | 3 / 3 | PRO A 548GLU A 571TYR A 583 | 0.96A | 18.07 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5X80_C_SALC201_1 (UNCHARACTERIZEDHTH-TYPETRANSCRIPTIONALREGULATOR RV2887) | Salicylic acid | 4 / 7 | VAL A 633PRO A 607GLY A 609TYR A 610 | 1.64A | 21.76 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4Q15_A_HFGA803_1 (PROLINE--TRNA LIGASE) | Halofuginone | 3 / 3 | GLU A 535THR A 543HIS A 539 | 1.38A | 12.23 | 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. | 1FML_B_RTLB501_0 (RETINOL DEHYDRATASE) | Vitamin A | 5 / 12 | ILE A 549TYR A 583LEU A 546LEU A 596ILE A 573 | 1.49A | 13.39 | 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. | 5I3C_C_AC2C301_1 (PURINE NUCLEOSIDEPHOSPHORYLASEDEOD-TYPE) | Aciclovir | 5 / 11 | GLY A 577ALA A 540VAL A 578GLU A 541ASP A 575 | 1.70A | 19.74 | 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. | 3UJ7_B_SAMB302_0 (PHOSPHOETHANOLAMINEN-METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | ILE A 567GLY A 572ILE A 569ASP A 575LEU A 596 | 1.25A | 18.15 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DWJ_B_GLYB710_0 (DEOXYNUCLEOSIDETRIPHOSPHATETRIPHOSPHOHYDROLASESAMHD1) | Glycine | 4 / 5 | ARG A 544ARG A 579GLY A 577ASP A 575 | 1.75A | 13.44 | 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. | 2J2P_A_SC2A1290_1 (FICOLIN-2) | Acetylcysteine | 4 / 5 | SER A 651LEU A 648GLY A 646ARG A 625 | 1.76A | 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. | 4PD4_C_AOQC4003_1 (CYTOCHROME B) | Atovaquone | 6 / 12 | GLY A 572VAL A 574ILE A 573ILE A 549PRO A 548LEU A 546 | 1.79A | 16.71 | 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. | 2QX4_B_ML1B233_1 (RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE[QUINONE]) | Melatonin | 4 / 7 | GLY A 609THR A 612CYH A 550PHE A 581 | 1.25A | 19.03 | 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. | 4ACA_C_DXCC1479_0 (TRANSLATIONELONGATION FACTORSELB) | Deoxycholic Acid | 4 / 5 | THR A 594ILE A 592GLU A 587PHE A 581 | 1.58A | 15.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4RGC_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ALA A 540LEU A 546ILE A 608LEU A 627THR A 543 | 1.64A | 22.09 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 3ELZ_B_CHDB151_0 (ILEAL BILEACID-BINDING PROTEIN) | Cholic Acid | 5 / 10 | ILE A 608ILE A 592GLY A 572PHE A 582LEU A 603 | 1.32A | 21.38 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 5OG9_A_TESA503_1 (-) | Testosterone | 5 / 9 | LEU A 599LEU A 546ILE A 593PRO A 630ALA A 631 | 1.52A | 15.08 | 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. | 6DH0_A_017A101_1 (PROTEASE) | Darunavir | 5 / 12 | ALA A 640ASP A 639GLY A 646VAL A 633VAL A 635 | 1.12A | 20.74 | None |