Ligand ID: 356


Drugbank ID:
DB08882
(Linagliptin)


Indication:
Linagliptin is used for the management of type 2 diabetes mellitus.

Get human targets for 356 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '356'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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. 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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
PHE E 483
VAL E 404
TYR E 440
TYR E 481
HIS A  34
1.69A13.41
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
GLU A  76
GLU A  76
SER A  67
VAL A  74
HIS A   2
1.13A11.29
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU A  38
PHE E 483
VAL E 404
TYR E 440
TYR E 481
1.76A22.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
PHE F 483
VAL F 404
TYR F 440
TYR F 481
HIS B  34
1.60A14.44
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		3scl ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU B  38
PHE F 483
VAL F 404
TYR F 440
TYR F 481
1.77A22.22
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLU D 239
TYR D 214
TYR D 311
VAL D 236
VAL D 185
1.72A18.10
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.
2RGU_A_356A901_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
1.67A18.10
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 451
TRP C 423
VAL C 389
TYR C 410
VAL C 388
1.76A21.12
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU C 647
SER C 659
VAL C 675
TYR C 677
HIS C 661
1.75A21.20
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
GLU C 647
SER C 659
VAL C 675
TYR C 677
HIS C 661
1.79A21.20
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU A 191
TRP A  64
VAL A 267
TYR A  91
VAL A  62
1.75A20.64
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		6vw1 ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE F 497
VAL F 417
TYR F 453
TYR F 495
HIS B  34
1.75A12.86
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.
2RGU_A_356A901_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
1.80A18.41
None