Ligand ID: T22


Drugbank ID:
DB06203
(Alogliptin)


Indication:
Indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus.

Get human targets for T22 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'T22' AND SARS-COV-2 / COVID-19 STRUCTURES

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 throuh AutoDock Vina.

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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG C 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.77A16.34
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.70A16.34
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.69A16.34
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.72A16.34
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG C 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.76A16.34
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG C 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.77A16.34
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG C 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.75A16.34
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.71A16.34
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG A 298
TYR C 118
VAL C 114
TYR C 126
VAL C 125
1.79A16.34
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.72A16.34
None