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| PDB ID: 2jzf Macromolecule: REPLICASE POLYPROTEIN 1AB Source Organism: SARSr-CoV Gene names: 1a-1brep UniProt ID: P0C6X7 |
SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2jzf'
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. | 4DZ2_A_FK5A200_1 (PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 5 / 11 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.76A | 22.07 | 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. | 1DRB_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | LEU A 599SER A 591ILE A 593LEU A 627ILE A 608 | 1.27A | 22.70 | 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. | 5H8T_A_RTLA201_0 (RETINOL-BINDINGPROTEIN 1) | Vitamin A | 5 / 12 | LEU A 627ALA A 631ILE A 560ILE A 608LEU A 533 | 1.27A | 24.20 | 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. | 2ZIF_A_SAMA298_0 (PUTATIVEMODIFICATIONMETHYLASE) | S-Adenosylmethionine | 5 / 12 | ALA A 629PRO A 548THR A 543GLU A 601LEU A 599 | 1.44A | 21.15 | 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. | 2JN3_A_JN3A130_1 (FATTY ACID-BINDINGPROTEIN, LIVER) | Ursodeoxycholic acid | 5 / 12 | LEU A 627ALA A 629HIS A 539ILE A 525LEU A 526 | 1.48A | 24.34 | 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. | 5J6H_A_NCAA402_0 (H-2 CLASS IHISTOCOMPATIBILITYANTIGEN, Q10 ALPHACHAIN) | Nicotinamide | 3 / 3 | PRO A 519ARG A 544GLU A 542 | 1.47A | 20.57 | 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. | 3GVU_A_STIA1002_1 (TYROSINE-PROTEINKINASE ABL2) | Imatinib | 5 / 8 | LEU A 617ALA A 621GLY A 609PRO A 607VAL A 633 | 1.62A | 16.33 | 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. | 3DRC_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | LEU A 599SER A 591ILE A 593LEU A 627ILE A 608 | 1.29A | 22.70 | 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. | 4ANS_A_VGHA9000_1 (ALK TYROSINE KINASERECEPTOR) | Crizotinib | 5 / 9 | LEU A 617ALA A 620MET A 624GLY A 646LEU A 648 | 1.60A | 18.86 | 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. | 4X5G_B_FOLB201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 6 / 12 | ILE A 593ALA A 629LEU A 599LYS A 595THR A 605ILE A 608 | 1.54A | 24.10 | 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. | 3OZK_B_T44B128_1 (TRANSTHYRETIN) | Levothyroxine | 4 / 7 | ALA A 631LEU A 596THR A 605VAL A 633 | 1.23A | 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. | 1DRA_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | LEU A 599SER A 591ILE A 593LEU A 627ILE A 608 | 1.28A | 22.70 | 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. | 3D2T_B_1FLB500_1 (TRANSTHYRETIN) | Diflunisal | 4 / 6 | ALA A 631LEU A 596THR A 605VAL A 633 | 1.24A | 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. | 1RE7_A_FOLA161_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599THR A 605ILE A 608 | 1.47A | 22.70 | 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. | 2Y7K_D_SALD1300_1 (LYSR-TYPE REGULATORYPROTEIN) | Salicylic acid | 5 / 12 | ILE A 608GLY A 609LEU A 627PRO A 548ILE A 593 | 1.01A | 24.11 | 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. | 2NXE_A_SAMA302_0 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 6 / 12 | PHE A 582LEU A 599GLY A 572ILE A 592LEU A 546LEU A 603 | 1.63A | 21.29 | 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. | 4X5G_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599LYS A 595THR A 605 | 1.50A | 24.10 | 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. | 4YGF_E_AZME303_1 (ALPHA-CARBONICANHYDRASE) | Acetazolamide | 5 / 12 | GLU A 542HIS A 539VAL A 632VAL A 604THR A 543 | 1.70A | 18.80 | 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. | 3VN2_A_TLSA501_2 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Telmisartan | 5 / 8 | ILE A 567LEU A 533LEU A 603LEU A 596LEU A 599 | 1.42A | 21.09 | 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. | 1BSX_B_T3B2_1 (PROTEIN (THYROIDHORMONE RECEPTORBETA)) | Liothyronine | 5 / 12 | ILE A 593ILE A 592ALA A 631LEU A 627LEU A 546 | 1.50A | 19.83 | 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. | 4L1W_B_STRB402_1 (ALDO-KETO REDUCTASEFAMILY 1 MEMBER C2) | Progesterone | 4 / 6 | TYR A 644VAL A 589ILE A 593LEU A 603 | 1.49A | 16.93 | 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. | 5X7P_B_ACRB1421_1 (GLYCOSIDE HYDROLASEFAMILY 31ALPHA-GLUCOSIDASE) | Acarbose | 4 / 6 | TYR A 576GLU A 541TYR A 564GLY A 566 | 1.26A | 8.09 | 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. | 5YU9_C_1E8C1101_1 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Ibrutinib | 5 / 12 | VAL A 589ALA A 620LEU A 627ASP A 552THR A 605 | 1.69A | 19.58 | 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. | 3IAZ_A_AINA1202_1 (LACTOTRANSFERRIN) | Acetylsalicylic acid | 3 / 3 | GLU A 618GLY A 646THR A 643 | 0.92A | 18.24 | 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. | 4X3M_B_ADNB301_1 (RNA 2'-O RIBOSEMETHYLTRANSFERASE) | Adenosine | 5 / 9 | PRO A 607ILE A 608MET A 624VAL A 604THR A 605 | 1.65A | 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. | 4PTJ_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599THR A 605ILE A 608 | 1.53A | 22.70 | 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. | 1EE2_B_CHDB1250_0 (ALCOHOLDEHYDROGENASE) | Cholic Acid | 3 / 3 | MET A 624LEU A 627SER A 626 | 1.20A | 18.18 | 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. | 1YKI_A_NFZA1219_1 (OXYGEN-INSENSITIVENAD(P)HNITROREDUCTASE) | Nitrofural | 4 / 8 | PHE A 580GLU A 571GLY A 572THR A 584 | 1.49A | 21.66 | 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. | 5KQX_A_ROCA101_2 (PROTEASE E35D-SQV) | Saquinavir | 5 / 9 | ARG A 625LEU A 648ASN A 645VAL A 632ILE A 525 | 1.70A | 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. | 1DMA_A_NCAA700_0 (EXOTOXIN A) | Nicotinamide | 4 / 7 | GLY A 609LEU A 617ALA A 620TYR A 610 | 1.16A | 24.74 | 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. | 3UQA_A_FK5A114_1 (UBIQUITIN-LIKEPROTEIN SMT3,PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 5 / 10 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.69A | 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. | 5U4S_B_BEZB301_0 (PUTATIVE SHORT CHAINDEHYDROGENASE) | Benzoic Acid | 4 / 8 | ILE A 593LEU A 596LEU A 599MET A 624 | 1.25A | 18.56 | 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. | 3VT3_A_VDXA500_2 (VITAMIN D3 RECEPTOR) | Calcitriol | 3 / 3 | LEU A 603ILE A 560TYR A 583 | 0.89A | 20.22 | 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. | 1XBB_A_STIA1_1 (TYROSINE-PROTEINKINASE SYK) | Imatinib | 5 / 9 | LEU A 617ALA A 620MET A 624GLY A 646LEU A 648 | 1.68A | 22.39 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6DWD_B_GLYB709_0 (DEOXYNUCLEOSIDETRIPHOSPHATETRIPHOSPHOHYDROLASESAMHD1) | Glycine | 4 / 5 | GLY A 577ASP A 575ARG A 544ARG A 579 | 1.65A | 13.58 | 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. | 5C0O_E_SAME301_0 (TRNA(ADENINE(58)-N(1))-METHYLTRANSFERASETRMI) | S-Adenosylmethionine | 5 / 12 | ALA A 620PRO A 607GLY A 609ALA A 590LEU A 627 | 1.45A | 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. | 4M11_A_MXMA606_1 (PROSTAGLANDIN G/HSYNTHASE 2) | Meloxicam | 5 / 12 | LEU A 533ILE A 549LEU A 546ALA A 540LEU A 537 | 1.30A | 14.71 | 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. | 1S19_A_MC9A500_0 (VITAMIN D3 RECEPTOR) | Calcipotriol | 5 / 12 | LEU A 546LEU A 537ILE A 556TYR A 564VAL A 574 | 1.21A | 20.38 | 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. | 3MEG_A_T27A561_1 (P66 REVERSETRANSCRIPTASE) | Rilpivirine | 5 / 12 | LEU A 627LYS A 628ASN A 597TYR A 583PHE A 581 | 1.51A | 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. | 2F7A_A_BEZA1003_0 (HTH-TYPETRANSCRIPTIONALREGULATOR BENM) | Benzoic Acid | 5 / 9 | LEU A 599LEU A 596PHE A 581ARG A 579ILE A 573 | 1.74A | 23.92 | 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. | 2W8Y_A_486A1000_2 (PROGESTERONERECEPTOR) | Mifepristone | 4 / 7 | LEU A 603LEU A 533MET A 624MET A 536 | 1.61A | 17.83 | 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. | 4C49_A_HCYA1384_1 (CORTICOSTEROID-BINDING GLOBULIN) | Hydrocortisone | 5 / 12 | ALA A 555VAL A 553GLN A 570PHE A 582ILE A 549 | 1.52A | 18.80 | 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. | 4G0U_F_ASWF101_1 (DNA TOPOISOMERASE2-BETA) | Amsacrine | 4 / 6 | PRO A 519ARG A 544GLY A 577ALA A 538 | 1.48A | 12.36 | 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. | 2DR2_A_TRPA479_0 (TRYPTOPHANYL-TRNASYNTHETASE) | L-Tryptophan | 5 / 11 | GLY A 609GLY A 614THR A 612ILE A 593CYH A 623 | 1.57A | 16.39 | 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. | 1HK2_A_T44A3004_1 (SERUM ALBUMIN) | Levothyroxine | 4 / 7 | ALA A 621GLU A 618LEU A 617VAL A 635 | 1.10A | 14.37 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1ICT_C_T44C128_1 (TRANSTHYRETIN) | Levothyroxine | 5 / 11 | ALA A 629GLU A 524LEU A 546THR A 605VAL A 633 | 1.50A | 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. | 2F78_A_BEZA1001_0 (HTH-TYPETRANSCRIPTIONALREGULATOR BENM) | Benzoic Acid | 5 / 9 | LEU A 599LEU A 596PHE A 581ARG A 579ILE A 573 | 1.69A | 23.92 | 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. | 6DH0_A_017A101_1 (PROTEASE) | Darunavir | 5 / 12 | ALA A 640ASP A 639GLY A 646VAL A 633VAL A 635 | 1.18A | 22.07 | 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. | 5Y80_A_IREA402_0 (CYCLIN-G-ASSOCIATEDKINASE) | Gefitinib | 5 / 11 | ALA A 640SER A 634VAL A 553ILE A 556ILE A 549 | 1.53A | 15.97 | 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. | 1R9O_A_FLPA501_1 (CYTOCHROME P450 2C9) | Flurbiprofen | 6 / 12 | VAL A 633ILE A 593LEU A 627GLY A 609ALA A 620LEU A 648 | 1.65A | 17.34 | 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. | 3UVV_A_T3A501_1 (THYROID HORMONERECEPTOR ALPHA) | Liothyronine | 5 / 12 | ILE A 608ILE A 592LEU A 546LEU A 599ILE A 573 | 1.16A | 20.30 | 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. | 4M2X_A_TMQA202_1 (DIHYDROFOLATEREDUCTASE) | Trimetrexate | 5 / 12 | ALA A 621LEU A 603PRO A 630LEU A 596ILE A 608 | 1.45A | 25.73 | 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. | 4IK7_B_IMNB201_1 (TRANSTHYRETIN) | Indomethacin | 4 / 8 | ALA A 631LEU A 596THR A 605VAL A 633 | 1.24A | 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. | 4C9K_B_CAMB424_0 (CYTOCHROME P450) | Camphor | 5 / 9 | THR A 528LEU A 648GLY A 646THR A 643VAL A 635 | 1.77A | 16.27 | 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. | 5OG9_B_TESB502_1 (-) | Testosterone | 5 / 12 | LEU A 599LEU A 546ILE A 593PRO A 630ALA A 631 | 1.57A | 17.26 | 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. | 5HW4_A_SAMA801_0 (RIBOSOMAL RNA SMALLSUBUNITMETHYLTRANSFERASE I) | S-Adenosylmethionine | 5 / 12 | GLY A 527THR A 528ALA A 631LEU A 603LYS A 545 | 1.48A | 20.63 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4X5J_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 6 / 12 | ILE A 593ALA A 629LEU A 599LYS A 595THR A 605ILE A 608 | 1.69A | 24.10 | 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. | 5HWC_A_FK5A201_1 (FK506-BINDINGPROTEIN 1A) | Tacrolimus | 5 / 11 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.70A | 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. | 5C0O_G_SAMG301_0 (TRNA(ADENINE(58)-N(1))-METHYLTRANSFERASETRMI) | S-Adenosylmethionine | 5 / 12 | ALA A 620PRO A 607GLY A 609ALA A 590LEU A 627 | 1.44A | 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. | 3UA5_B_06XB501_1 (CYTOCHROME P450 2B6) | Amlodipine | 5 / 7 | ILE A 549ILE A 560SER A 634GLU A 535VAL A 604 | 1.73A | 19.47 | 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. | 1DHI_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | LEU A 599SER A 591ILE A 593LEU A 627ILE A 608 | 1.31A | 22.70 | 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. | 3HGX_A_SALA102_1 (SALICYLATEBIOSYNTHESIS PROTEINPCHB) | Salicylic acid | 4 / 7 | VAL A 574ILE A 560ILE A 567GLN A 570 | 1.48A | 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. | 5X19_J_CHDJ101_0 (CYTOCHROME C OXIDASESUBUNIT 7A1,MITOCHONDRIAL) | Cholic Acid | 4 / 5 | TYR A 644ARG A 625MET A 624LEU A 627 | 1.58A | 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. | 3UF8_A_FK5A114_1 (UBIQUITIN-LIKEPROTEIN SMT3,PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 5 / 10 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.69A | 21.90 | 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. | 6DWJ_B_GLYB710_0 (DEOXYNUCLEOSIDETRIPHOSPHATETRIPHOSPHOHYDROLASESAMHD1) | Glycine | 4 / 5 | ARG A 544ARG A 579GLY A 577ASP A 575 | 1.52A | 13.58 | 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. | 4X3M_A_ADNA301_1 (RNA 2'-O RIBOSEMETHYLTRANSFERASE) | Adenosine | 5 / 9 | PRO A 607ILE A 608MET A 624VAL A 604THR A 605 | 1.61A | 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. | 4ZBQ_A_DIFA602_1 (SERUM ALBUMIN) | Diclofenac | 4 / 8 | LEU A 627ALA A 631VAL A 604GLU A 601 | 1.25A | 13.32 | 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. | 6DWD_A_GLYA715_0 (DEOXYNUCLEOSIDETRIPHOSPHATETRIPHOSPHOHYDROLASESAMHD1) | Glycine | 4 / 6 | GLY A 577ASP A 575ARG A 544ARG A 579 | 1.64A | 13.58 | 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. | 5Y7P_C_CHDC401_0 (BILE SALT HYDROLASE) | Cholic Acid | 5 / 8 | LEU A 648TYR A 644LEU A 603ALA A 631LEU A 627 | 1.70A | 18.44 | 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. | 1DHJ_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | LEU A 599SER A 591ILE A 593LEU A 627ILE A 608 | 1.30A | 23.31 | 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. | 5K50_A_ACTA1403_0 (L-THREONINE3-DEHYDROGENASE) | Acetic acid | 4 / 5 | MET A 624VAL A 589GLY A 609ALA A 620 | 1.65A | 21.28 | 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. | 1I2W_B_CFXB2300_2 (BETA-LACTAMASE) | Cefoxitin | 3 / 3 | PRO A 602LEU A 603THR A 594 | 0.99A | 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. | 2AKE_A_TRPA479_0 (TRYPTOPHANYL-TRNASYNTHETASE) | L-Tryptophan | 5 / 12 | GLY A 609GLY A 614THR A 612ILE A 593CYH A 623 | 1.58A | 16.39 | 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. | 4PEV_C_ADNC501_2 (MEMBRANE LIPOPROTEINFAMILY PROTEIN) | Adenosine | 3 / 3 | PRO A 607VAL A 604HIS A 539 | 1.76A | 17.68 | 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. | 3CJT_G_SAMG302_0 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 5 / 12 | LEU A 599GLY A 572ILE A 592LEU A 546LEU A 603 | 1.25A | 21.29 | 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. | 3WRI_A_CAMA502_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 4 / 5 | GLY A 609THR A 612ILE A 556VAL A 553 | 1.27A | 16.35 | 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. | 3NU9_A_478A401_2 (PROTEASE) | Amprenavir | 5 / 10 | ALA A 640ASP A 639GLY A 646VAL A 633VAL A 635 | 1.41A | 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. | 3EM6_A_017A200_2 (PROTEASE) | Darunavir | 5 / 12 | ALA A 640ASP A 639GLY A 646LEU A 648VAL A 529 | 1.44A | 18.88 | 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. | 5HBS_A_RTLA201_0 (RETINOL-BINDINGPROTEIN 1) | Vitamin A | 5 / 12 | LEU A 627ALA A 631ILE A 560ILE A 608LEU A 533 | 1.19A | 24.20 | 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. | 3H5G_A_LEIA16_0 (COIL SER L16D-PEN) | Penicillamine | 4 / 6 | LYS A 628LEU A 596GLU A 601LEU A 603 | 1.67A | 14.95 | 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. | 4X5H_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599LYS A 595THR A 605 | 1.38A | 24.10 | 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. | 4DF3_A_SAMA301_1 (FIBRILLARIN-LIKERRNA/TRNA2'-O-METHYLTRANSFERASE) | S-Adenosylmethionine | 3 / 3 | TYR A 647THR A 643GLU A 619 | 1.59A | 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. | 2ZBP_A_SAMA300_0 (RIBOSOMAL PROTEINL11METHYLTRANSFERASE) | S-Adenosylmethionine | 6 / 12 | PHE A 582LEU A 599GLY A 572ILE A 592LEU A 546LEU A 603 | 1.70A | 21.29 | 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. | 1CD2_A_FOLA307_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ALA A 621THR A 605PRO A 630LEU A 596ILE A 608 | 1.48A | 17.14 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4XIW_G_AZMG402_1 (CARBONIC ANHYDRASE,ALPHA TYPE) | Acetazolamide | 5 / 12 | GLU A 542HIS A 539LEU A 603VAL A 604THR A 543 | 1.60A | 21.15 | 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. | 1TW4_B_CHDB1130_0 (FATTY ACID-BINDINGPROTEIN) | Cholic Acid | 5 / 12 | LEU A 603LEU A 627ILE A 573HIS A 613ILE A 608 | 1.54A | 24.34 | 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. | 1AJ6_A_NOVA1_1 (GYRASE) | Novobiocin | 5 / 9 | ASP A 552PRO A 588ALA A 590ILE A 592THR A 612 | 1.50A | 20.81 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4MK4_B_CHDB504_0 (FERROCHELATASE,MITOCHONDRIAL) | Cholic Acid | 3 / 3 | LEU A 599ILE A 573ARG A 579 | 1.40A | 18.21 | 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. | 5ECO_A_LEUA602_0 (JASMONIC ACID-AMIDOSYNTHETASE JAR1) | L-Leucine | 4 / 6 | THR A 543ALA A 540VAL A 578HIS A 539 | 1.36A | 13.49 | 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. | 4M2X_E_TMQE202_1 (DIHYDROFOLATEREDUCTASE) | Trimetrexate | 5 / 12 | ALA A 621LEU A 603PRO A 630LEU A 596ILE A 608 | 1.45A | 25.73 | 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. | 4X5I_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 6 / 12 | ILE A 593ALA A 629LEU A 599LYS A 595THR A 605ILE A 608 | 1.66A | 24.10 | 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. | 1OPJ_A_STIA3_2 (PROTO-ONCOGENETYROSINE-PROTEINKINASE ABL1) | Imatinib | 4 / 5 | TYR A 610VAL A 578ILE A 549MET A 624 | 1.73A | 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. | 2XYT_D_TC9D1206_2 (SOLUBLEACETYLCHOLINERECEPTOR) | Tubocurarine | 4 / 8 | THR A 612ARG A 554MET A 557ILE A 556 | 1.43A | 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. | 2ZJ0_D_2FAD500_2 (ADENOSYLHOMOCYSTEINASE) | Fludarabine | 4 / 4 | LEU A 533GLN A 561THR A 559THR A 605 | 1.75A | 16.28 | 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. | 5JLC_A_1YNA602_1 (LANOSTEROL 14-ALPHADEMETHYLASE) | Itraconazole | 5 / 12 | ILE A 593GLY A 609THR A 612PHE A 582THR A 559 | 1.38A | 14.84 | 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. | 3MTE_B_SAMB220_0 (16S RRNA METHYLASE) | S-Adenosylmethionine | 5 / 12 | ASN A 532VAL A 611ALA A 620ALA A 621LEU A 617 | 1.45A | 21.86 | 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. | 1MRJ_A_ADNA300_1 (ALPHA-TRICHOSANTHIN) | Adenosine | 4 / 8 | ILE A 593GLY A 609ILE A 592GLU A 587 | 1.38A | 23.40 | 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. | 5IGW_A_CTYA404_1 (MACROLIDE2'-PHOSPHOTRANSFERASE II) | Clarithromycin | 5 / 12 | GLY A 609GLU A 601ILE A 549PHE A 581TYR A 583 | 1.46A | 18.36 | 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. | 4A7A_B_RGZB601_1 (AMINE OXIDASE[FLAVIN-CONTAINING]B) | Rosiglitazone | 5 / 12 | PRO A 548LEU A 596LEU A 627CYH A 623ILE A 608 | 1.34A | 15.72 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4DZ3_A_FK5A201_1 (PEPTIDYL-PROLYLCIS-TRANS ISOMERASE) | Tacrolimus | 5 / 10 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.75A | 22.76 | 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. | 2ZJ0_B_2FAB500_2 (ADENOSYLHOMOCYSTEINASE) | Fludarabine | 4 / 5 | LEU A 533GLN A 561THR A 559THR A 605 | 1.70A | 16.28 | 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. | 5OG9_A_TESA503_1 (-) | Testosterone | 5 / 9 | LEU A 599LEU A 546ILE A 593PRO A 630ALA A 631 | 1.58A | 17.26 | 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. | 6CZM_A_HISA402_0 (ATPPHOSPHORIBOSYLTRANSFERASE CATALYTICSUBUNIT) | L-Histidine | 5 / 10 | GLY A 609THR A 605VAL A 633ALA A 631LEU A 596 | 1.34A | 17.77 | 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. | 4YGF_B_AZMB303_1 (ALPHA-CARBONICANHYDRASE) | Acetazolamide | 5 / 11 | GLU A 542HIS A 539VAL A 632VAL A 604THR A 543 | 1.77A | 18.80 | 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. | 1BSX_A_T3A1_1 (PROTEIN (THYROIDHORMONE RECEPTORBETA)) | Liothyronine | 5 / 12 | ILE A 593ILE A 592ALA A 631LEU A 627LEU A 546 | 1.50A | 19.83 | 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. | 4YGF_D_AZMD303_1 (ALPHA-CARBONICANHYDRASE) | Acetazolamide | 5 / 11 | GLU A 542HIS A 539VAL A 632VAL A 604THR A 543 | 1.72A | 18.80 | 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. | 3DDY_A_RBFA187_1 (LUMAZINE PROTEIN) | Riboflavin | 5 / 12 | VAL A 641SER A 530THR A 528ILE A 525ASN A 532 | 1.49A | 20.11 | 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. | 4X1Y_D_LOCD502_2 (TUBULIN BETA CHAIN) | Colchicine | 5 / 12 | CYH A 623LEU A 627ASN A 597VAL A 589ALA A 590 | 1.41A | 17.10 | 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. | 3CE6_B_ADNB500_2 (ADENOSYLHOMOCYSTEINASE) | Adenosine | 4 / 5 | LEU A 533GLN A 561THR A 559THR A 605 | 1.73A | 16.28 | 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. | 5E8Q_A_FOLA201_0 (DIHYDROFOLATEREDUCTASE) | Folic Acid | 5 / 12 | ILE A 593ALA A 629LEU A 599THR A 605ILE A 608 | 1.50A | 22.70 | 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. | 4Y0Q_A_PX9A201_1 (BETA-LACTOGLOBULIN) | Pramocaine | 3 / 3 | LYS A 563ILE A 560ILE A 549 | 0.89A | 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. | 2AZX_A_TRPA601_0 (TRYPTOPHANYL-TRNASYNTHETASE) | L-Tryptophan | 5 / 12 | GLY A 609GLY A 614THR A 612ILE A 593CYH A 623 | 1.53A | 16.10 | 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. | 2DRC_A_MTXA161_1 (DIHYDROFOLATEREDUCTASE) | Methotrexate | 5 / 12 | LEU A 599SER A 591ILE A 593LEU A 627ILE A 608 | 1.27A | 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. | 3GWX_B_EPAB3_2 (PROTEIN (PEROXISOMEPROLIFERATORACTIVATED RECEPTOR(PPAR-DELTA))) | Icosapent | 5 / 12 | LEU A 648PHE A 615VAL A 635VAL A 633ILE A 608 | 1.48A | 16.06 | 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. | 2VCV_A_ASDA1224_1 (GLUTATHIONES-TRANSFERASE A3) | 4-Androstenedione | 4 / 7 | TYR A 644PRO A 548LEU A 603ALA A 631 | 1.22A | 22.27 | 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. | 3SFE_C_TMGC1_1 (SUCCINATEDEHYDROGENASE[UBIQUINONE]IRON-SULFUR SUBUNIT,MITOCHONDRIALSUCCINATEDEHYDROGENASECYTOCHROME B560SUBUNIT,MITOCHONDRIAL) | Thiabendazole | 5 / 8 | PRO A 548HIS A 613ILE A 608MET A 624ILE A 593 | 1.73A | 20.4322.22 | 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. | 3OXZ_A_0LIA1_2 (TYROSINE-PROTEINKINASE ABL1) | Ponatinib | 5 / 9 | TYR A 610VAL A 578ILE A 549MET A 624VAL A 632 | 1.63A | 17.25 | 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. | 4MXY_A_DB8A601_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE SRC) | Bosutinib | 6 / 12 | LEU A 617ALA A 620ILE A 608MET A 624GLY A 646LEU A 648 | 1.70A | 20.57 | 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. | 5EB5_A_010A609_0 (HNL ISOENZYME 5) | Benzyl alcohol | 5 / 11 | ALA A 538ALA A 540VAL A 578LEU A 533TYR A 564 | 1.57A | 15.37 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 6MKE_A_FK5A201_0 (PEPTIDYLPROLYLISOMERASE) | Tacrolimus | 5 / 12 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.72A | 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. | 2VCV_D_ASDD1224_1 (GLUTATHIONES-TRANSFERASE A3) | 4-Androstenedione | 5 / 9 | TYR A 644PRO A 548LEU A 596LEU A 603ALA A 631 | 1.35A | 22.27 | 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. | 5YU9_B_1E8B1101_1 (EPIDERMAL GROWTHFACTOR RECEPTOR) | Ibrutinib | 5 / 12 | VAL A 589ALA A 620LEU A 627ASP A 552THR A 605 | 1.62A | 19.58 | 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. | 4XUM_A_IMNA502_1 (PEROXISOMEPROLIFERATOR-ACTIVATED RECEPTOR GAMMA) | Indomethacin | 4 / 7 | GLU A 571ILE A 569LEU A 533ILE A 549 | 1.41A | 21.27 | 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. | 2PO5_A_CHDA502_0 (FERROCHELATASE,MITOCHONDRIAL) | Cholic Acid | 5 / 8 | LEU A 648ARG A 622PRO A 548VAL A 589GLY A 609 | 1.63A | 17.37 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 4JX1_B_CAMB502_0 (CAMPHOR5-MONOOXYGENASE) | Camphor | 5 / 10 | THR A 605GLY A 609THR A 612ILE A 556VAL A 553 | 1.54A | 15.74 | 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. | 3KZ7_A_RAPA225_1 (FK506-BINDINGPROTEIN 3) | Sirolimus | 5 / 10 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.72A | 22.60 | 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. | 1Q6I_B_FK5B401_1 (FKBP-TYPEPEPTIDYL-PROLYLCIS-TRANS ISOMERASEFKPA) | Tacrolimus | 5 / 10 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.80A | 18.83 | 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. | 5UVM_B_ADNB207_1 (HISTIDINE TRIAD(HIT) PROTEIN) | Adenosine | 5 / 12 | ILE A 549ILE A 560ASN A 532LEU A 537VAL A 604 | 1.30A | 15.89 | 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. | 4PD9_A_ADNA501_2 (NUPC FAMILY PROTEIN) | Adenosine | 3 / 3 | THR A 528ASN A 616PHE A 615 | 1.21A | 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. | 4MXZ_A_DB8A601_1 (PROTO-ONCOGENETYROSINE-PROTEINKINASE SRC) | Bosutinib | 6 / 12 | LEU A 617ALA A 620ILE A 608MET A 624GLY A 646LEU A 648 | 1.70A | 20.57 | 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. | 5IH0_A_ERYA404_0 (MACROLIDE2'-PHOSPHOTRANSFERASE II) | Erythromycin | 5 / 12 | ILE A 592HIS A 613GLY A 609ALA A 631ILE A 556 | 1.46A | 18.36 | 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. | 5DZK_4_BEZ4801_0 (ATP-DEPENDENT CLPPROTEASE PROTEOLYTICSUBUNIT 1ATP-DEPENDENT CLPPROTEASE PROTEOLYTICSUBUNIT 2BEZ-LEU-LEU) | Benzoic Acid | 4 / 5 | LEU A 603PHE A 581ILE A 608ILE A 592 | 1.51A | 11.1125.4618.65 | 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. | 5IGY_A_ERYA403_0 (MACROLIDE2'-PHOSPHOTRANSFERASE II) | Erythromycin | 5 / 12 | ILE A 592HIS A 613GLY A 609ALA A 631ILE A 556 | 1.39A | 18.36 | 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. | 2YFX_A_VGHA9000_1 (TYROSINE-PROTEINKINASE RECEPTOR) | Crizotinib | 5 / 8 | LEU A 617ALA A 620MET A 624GLY A 646LEU A 648 | 1.61A | 19.17 | 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. | 1G50_B_ESTB1600_1 (ESTROGEN RECEPTOR) | Estradiol | 5 / 12 | MET A 536LEU A 537MET A 557MET A 547ILE A 549 | 1.40A | 21.07 | 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. | 3I9J_B_NCAB302_0 (ADP-RIBOSYL CYCLASE) | Nicotinamide | 4 / 6 | LEU A 546GLU A 601ASN A 600PHE A 581 | 1.61A | 20.46 | 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. | 5HW8_G_FK5G201_2 (FK506-BINDINGPROTEIN 1) | Tacrolimus | 5 / 11 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.73A | 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. | 3AOX_A_EMHA901_1 (ALK TYROSINE KINASERECEPTOR) | Alectinib | 5 / 10 | LEU A 648ALA A 621VAL A 635LEU A 617GLY A 527 | 1.48A | 19.43 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1Q6I_A_FK5A301_1 (FKBP-TYPEPEPTIDYL-PROLYLCIS-TRANS ISOMERASEFKPA) | Tacrolimus | 5 / 9 | ASP A 552VAL A 589ILE A 608TYR A 583ILE A 549 | 1.77A | 18.83 | 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. | 2NNI_A_MTKA501_1 (CYTOCHROME P450 2C8) | Montelukast | 5 / 12 | SER A 651THR A 612VAL A 589ALA A 590THR A 594 | 1.41A | 15.43 | None |