 |
| Ligand ID: PE2 Drugbank ID: DB00299(Penciclovir) Indication:Used to treat recurrent cold sores on the lips and face from various herpesvirus invections. |
| DrReposER ID / Desc. | Hit PDBID |
Hit Macromolecule |
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. | 1KI3_B_PE2B2_1 (THYMIDINE KINASE) | 3d0g | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 5 / 12 | ILE B 358ILE B 379GLN B 380MET B 323GLU B 375 | 1.74A | 20.10 | NoneNoneNoneNone ZN B 901 (-4.0A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 3d0i | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 5 / 12 | TRP B 328ILE B 358ILE B 379GLN B 380MET B 323 | 1.56A | 20.10 | 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. | 1KI3_B_PE2B2_1 (THYMIDINE KINASE) | 3i6g | HLA, A-2 (Homosapiens) | 5 / 12 | TRP D 51ILE D 52TYR D 59ARG D 170GLU D 63 | 1.69A | 24.85 | 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. | 1KI3_B_PE2B2_1 (THYMIDINE KINASE) | 3i6l | HLA, A-24 (Homosapiens) | 5 / 12 | TRP D 51ILE D 52TYR D 59ARG D 170GLU D 63 | 1.70A | 26.10 | 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. | 1KI3_B_PE2B2_1 (THYMIDINE KINASE) | 3sci | ACE2 (Homosapiens) | 5 / 12 | ILE A 358ILE A 379GLN A 380MET A 323GLU A 375 | 1.77A | 19.01 | NoneNoneNoneNone ZN A 901 (-3.5A) | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 3scj | ACE2 (Homosapiens) | 5 / 12 | TRP B 328ILE B 358ILE B 379GLN B 380MET B 323 | 1.53A | 19.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 3scl | ACE2 (Pagumalarvata;Homosapiens;SARSr-CoV) | 5 / 12 | TRP B 328ILE B 358ILE B 379GLN B 380MET B 323 | 1.66A | 19.01 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 5c8s | GUANINE-N7METHYLTRANSFERASE (SARSr-CoV) | 5 / 12 | GLU D 204ILE D 74GLN D 65ARG D 180GLU D 78 | 1.79A | 21.24 | 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. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 5x58 | SPIKE GLYCOPROTEIN (SARS-COVBJ01) | 5 / 12 | ILE C 995ILE A 995GLN A 992ARG C 996GLU C 999 | 1.65A | 13.83 | 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. | 1KI3_B_PE2B2_1 (THYMIDINE KINASE) | 6crw | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | ILE A 694ILE B 878GLN B 883MET B 882TYR B 886 | 1.57A | 14.36 | 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. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 6crz | SPIKEGLYCOPROTEIN,FIBRITIN (SARSr-CoV) | 5 / 12 | ILE A 694ILE B 878GLN B 883MET B 882TYR B 886 | 1.36A | 14.36 | 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. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 6iex | MHC CLASS I ANTIGEN (Homosapiens) | 5 / 12 | GLU A 163ILE A 66TYR A 99ARG A 62GLU A 63 | 1.73A | 24.78 | None | ||
| Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 6m1d | ACE2SODIUM-DEPENDENTNEUTRAL AMINO ACIDTRANSPORTER B(0)AT1 (Homosapiens) | 5 / 12 | GLU A 217ILE A 213ILE B 757ARG A 214GLU A 456 | 1.74A | 20.33 | 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. | 1KI3_A_PE2A1_1 (THYMIDINE KINASE) | 6vw1 | ACE2 (Homosapiens) | 5 / 12 | TRP A 328ILE A 358ILE A 379GLN A 380MET A 323 | 1.64A | 20.10 | None |