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-RELATED PROTEINS ONLY

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_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.74A16.76
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU D1162
GLU D1163
VAL F 933
ASN D1159
VAL D1158
1.74A9.34
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.69A16.76
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.79A15.98
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
TYR A  85
TYR A  84
TYR A 116
TYR A 123
VAL A  95
1.70A18.39
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 139
GLU B 135
TYR B 155
TYR B  72
ASN B  14
1.62A17.30
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.78A16.40
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU D 239
TYR D 214
TYR D 311
VAL D 236
VAL D 185
1.70A17.19
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 183
GLU B  93
VAL B 140
ASN B  96
VAL B 172
1.74A21.18
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6m1d ACE2
(Homo
sapiens)		5 / 12
ARG D 204
GLU D 457
TYR D 199
TYR D 183
VAL D 463
1.74A20.05
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
TYR L  96
SER L  93
TYR L  91
VAL L  27
TYR L  27
1.62A15.06
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C 102
SER C  99
TYR C  97
VAL C  29
TYR C  31
1.67A18.41
None
DMS  C 303 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C 102
SER C  99
TYR C  97
VAL C  29
TYR C  31
1.67A18.41
None
DMS  C 303 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L 102
SER L  99
TYR L  97
VAL L  29
TYR L  31
1.67A18.41
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C 102
SER C  99
TYR C  97
VAL C  29
TYR C  31
1.68A18.41
None
DMS  C 303 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C 102
SER C  99
TYR C  97
VAL C  29
TYR C  31
1.66A18.41
None
DMS  C 303 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L 102
SER L  99
TYR L  97
VAL L  29
TYR L  31
1.68A18.41
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.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L 102
SER L  99
TYR L  97
VAL L  29
TYR L  31
1.68A18.41
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.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L 102
SER L  99
TYR L  97
VAL L  29
TYR L  31
1.67A18.41
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.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L 102
SER L  99
TYR L  97
VAL L  29
TYR L  31
1.68A18.41
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L 102
SER L  99
TYR L  97
VAL L  29
TYR L  31
1.66A18.41
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C 102
SER C  99
TYR C  97
VAL C  29
TYR C  31
1.67A18.41
None