Ligand ID: 715


Drugbank ID:
DB01261
(Sitagliptin)


Indication:
For use as an adjunct to diet and exercise to improve glycemic control in patients with type 2 diabetes mellitus. Also for use in patients with type 2 diabetes mellitus to improve glycemic control in combination with metformin or a PPARĪ³ agonist (e.g., thiazolidinediones) when the single agent alone, with diet and exercise, does not provide adequate glycemic control.

Get human targets for 715 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '715' 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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		5r7z 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.67A16.86
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		5r7z 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.67A16.86
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.70A11.92
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.69A11.92
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6lze VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ARG A 298
TYR A 209
ASN A 214
1.18A16.19
DMS  A 402 (-3.5A)
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6lze VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ARG A 298
SER A 147
TYR A 161
1.63A16.19
DMS  A 402 (-3.5A)
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ARG A 298
TYR A 209
ASN A 214
1.19A16.05
DMS  A 404 (-3.6A)
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ARG A 298
SER A 147
TYR A 161
1.60A16.05
DMS  A 404 (-3.6A)
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.73A16.00
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ARG D 131
GLU D 290
GLU D 288
GLY B 283
TYR D 239
1.76A16.86
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.70A16.86
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ARG A 279
SER A 239
TYR A 238
1.23A20.00
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ARG A  33
SER A 784
TYR A 787
1.79A20.00
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
GLY A 671
TYR A 456
SER A 681
VAL A 662
VAL A 560
1.78A20.66
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.19A20.00
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ARG C 765
TYR C 741
ASN B 317
0.92A21.00
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6vxs NSP3
(SARS-CoV-2)		3 / 3
ARG A 141
TYR A   9
ASN A 150
1.79A
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ARG B 190
GLU B  96
SER B  94
VAL B 143
ASN B  99
1.71A20.91
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ARG C 190
GLU C  96
SER C  94
VAL C 143
ASN C  99
1.68A20.91
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ARG B 646
SER C 875
TYR C 873
1.34A20.91
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ARG A 765
TYR A 741
ASN C 317
1.22A21.40
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ARG C 765
TYR C 741
ASN B 317
1.18A21.40
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ARG A 509
SER A 366
TYR A 369
1.20A20.91
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		3 / 3
PHE C 377
TYR C 365
TYR C 369
1.45A12.96
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		3 / 3
ARG C 403
SER H  55
TYR H  52
1.66A12.95
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6w4h SARS-COV-2 NSP16
(SARS-CoV-2)		3 / 3
PHE A6948
TYR A7026
TYR A6979
1.35A19.62
ACT  A7104 ( 4.7A)
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6w75 NSP16
(SARS-CoV-2)		3 / 3
ARG C6817
TYR C7026
ASN C6941
1.77A12.45
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6w75 NSP16
(SARS-CoV-2)		3 / 3
PHE C6948
TYR C7026
TYR C6979
1.33A12.45
FMT  C7115 ( 4.3A)
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6w75 NSP16
(SARS-CoV-2)		3 / 3
PHE A6948
TYR A7026
TYR A6979
1.35A12.45
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ARG C  65
SER C  85
TYR C  83
1.09A18.23
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ARG A  65
SER A  85
TYR A  83
1.12A18.23
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		3 / 3
ARG B  65
SER B  85
TYR B  83
1.01A18.23
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG B 262
TYR A 333
ASN B 285
1.71A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG E 276
TYR E 298
ASN B 345
1.52A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG E 262
TYR E 298
ASN B 345
1.36A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG C 262
TYR D 333
ASN C 285
1.71A
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
PHE A6948
TYR A7026
TYR A6979
1.35A19.62
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
PHE C6948
TYR C7026
TYR C6979
1.34A19.62
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6wkq NSP16
(SARS-CoV-2)		3 / 3
PHE A6948
TYR A7026
TYR A6979
1.35A19.62
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6wkq NSP16
(SARS-CoV-2)		3 / 3
ARG C6817
TYR C7026
ASN C6941
1.80A
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6wkq NSP16
(SARS-CoV-2)		3 / 3
PHE C6948
TYR C7026
TYR C6979
1.35A19.62
FMT  C7105 ( 4.4A)
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6wrh PEPTIDASE C16
(SARS-CoV-2)		3 / 3
ARG A  65
SER A  85
TYR A  83
1.63A19.09
None
GOL  A 507 (-2.9A)
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ARG A 298
TYR B 118
VAL B 114
TYR B 126
VAL B 125
1.77A16.00
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.71A10.87
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.70A10.87
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
ARG E 408
TYR E 451
ASN E 501
1.76A
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.73A16.86
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
ARG D 141
TYR D   9
ASN D 150
1.77A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
ARG C 141
TYR C   9
ASN C 150
1.61A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
(SARS-CoV-2)		3 / 3
ARG A 651
TYR A 689
ASN A 568
1.77A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
(SARS-CoV-2)		3 / 3
ARG A 132
TYR A 163
ASN A 138
1.65A
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		7btf NSP12
(SARS-CoV-2)		3 / 3
ARG A 279
SER A 239
TYR A 238
1.35A20.00
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
(SARS-CoV-2)		5 / 12
GLY A 671
TYR A 456
SER A 681
VAL A 662
VAL A 560
1.77A20.66
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
(SARS-CoV-2)		3 / 3
ARG A 132
TYR A  32
ASN A 138
1.69A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
NSP8
(SARS-CoV-2)		3 / 3
ARG B 111
TYR A 346
ASN A 297
1.68A
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		7btf NSP12
(SARS-CoV-2)		5 / 12
GLY A 671
TYR A 456
SER A 681
VAL A 662
VAL A 560
1.74A20.66
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		3 / 3
ARG A 298
TYR A 209
ASN A 214
1.28A
DMS  A 406 (-3.5A)
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		3 / 3
ARG A 298
SER A 147
TYR A 161
1.62A16.00
DMS  A 406 (-3.5A)
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
PHE A 429
TYR A 884
TYR A 887
1.59A20.04
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ARG A 651
TYR A 689
ASN A 568
1.73A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ARG A 132
TYR A 163
ASN A 138
1.58A
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ARG A 249
TYR A 238
ASN A 312
1.16A
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLY A 671
TYR A 456
SER A 681
VAL A 662
VAL A 560
1.77A20.73
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ARG A  33
SER A 236
TYR A 237
1.41A20.04
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ARG A 132
TYR A  32
ASN A 138
1.66A
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.15A20.04
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ARG A  33
SER A 236
TYR A 237
1.37A20.04
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ARG A 651
TYR A 689
ASN A 568
1.79A
None
U  T  12 ( 4.8A)
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.25A20.04
None
None
None
U  T  10 ( 4.6A)
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ARG A 249
TYR A 238
ASN A 312
1.15A
None