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-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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.73A17.90
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)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		3 / 3
ARG A 127
TYR A  64
ASN A  53
1.29A12.48
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)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.72A16.29
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU D1162
GLU D1163
VAL F 933
ASN D1159
VAL D1158
1.65A10.34
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU D1162
GLU D1163
VAL F 933
ASN D1159
VAL D1158
1.66A9.49
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)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU D1162
GLU D1163
VAL F 933
ASN D1159
VAL D1158
1.68A9.49
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)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
ARG A 163
GLY A 162
TYR A  59
VAL A  67
TYR A   7
1.25A17.29
SO4  A4003 (-4.0A)
None
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		1x7q HLA, A-11
(Homo
sapiens)		3 / 3
PHE A  22
TYR A  99
TYR A   7
1.37A18.10
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
ARG A 163
TYR A  59
TYR A   7
ASN A  66
VAL A  67
1.79A18.10
SO4  A4003 (-4.0A)
None
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 109
ARG A 131
VAL A  13
ASN A 151
VAL A 157
1.54A17.90
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A 298
TYR B1118
VAL B1114
TYR B1126
VAL B1125
1.79A16.29
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
GLU D 286
GLY D 260
PHE D 314
VAL B 278
VAL B 259
1.78A12.93
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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		3 / 3
ARG G  80
TYR H 143
ASN H 114
1.53A14.50
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)		2ajf ACE2
(Homo
sapiens)		3 / 3
ARG B 273
TYR B 279
ASN B 154
1.35A21.17
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)		2ajf ACE2
SPIKE PROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
VAL E 404
TYR E 440
TYR E 481
ASN E 479
HIS A  34
1.79A12.62
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		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
1.75A12.62
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_1
(DIPEPTIDYL PEPTIDASE
4)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.71A18.61
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)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.65A17.90
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)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
ARG B 277
GLY B 276
ARG B 260
ASN C 270
VAL C 271
1.75A9.77
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)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 109
ARG B 131
VAL B  13
ASN B 151
VAL B 157
1.50A18.61
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)		2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG B 298
TYR B 209
ASN B 214
1.34A17.90
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)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
GLU C 105
GLY C  79
PHE C 133
VAL B  78
HIS C  43
1.62A13.15
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)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG A  83
SER B  86
TYR B  84
0.89A17.61
None
BR  B 319 (-3.6A)
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_1
(DIPEPTIDYL PEPTIDASE
4)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLU A 264
GLY B 228
SER A 116
VAL A 166
TYR A 265
1.67A17.11
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)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ARG B  72
SER B  52
ARG A 426
VAL B   2
TYR B  32
1.61A14.89
None
None
None
None
CL  A  88 (-4.4A)
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)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ARG D 223
GLY C 434
VAL C 404
TYR C 440
TYR C 481
1.69A15.33
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		3 / 3
PHE D 230
TYR D 103
TYR D 168
1.20A15.33
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ARG B 223
PHE A 483
VAL A 404
TYR A 440
TYR A 481
1.77A14.89
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)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
ARG A 395
SER B  30
TYR B  53
1.04A15.17
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)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.68A18.19
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
TYR A 118
SER A 123
VAL A 125
TYR A 126
1.77A18.19
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		2jw8 NUCLEOCAPSID PROTEIN
(SARSr-CoV)		3 / 3
ARG B 260
SER B 319
TYR B 334
1.35A10.16
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)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
PHE A 582
TYR A 564
TYR A 576
1.51A12.61
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)		2kqv NSP3
(SARSr-CoV)		3 / 3
PHE A  60
TYR A  42
TYR A  54
1.48A12.77
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)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		3 / 3
ARG A   4
TYR A 118
ASN A 142
1.61A19.70
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)		2wct NSP3
(SARSr-CoV)		3 / 3
ARG D 562
TYR B 483
ASN D 532
1.42A16.08
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.69A17.90
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.73A16.29
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
ARG B 100
GLY B  96
SER C  56
VAL C  58
TYR C  49
1.80A14.44
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		3bgf F26G19 FAB
(Mus
musculus)		3 / 3
ARG C  24
SER C  93
TYR C  91
1.45A13.36
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		3 / 3
ARG A 395
TYR A 438
ASN A 479
1.49A14.68
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)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE F 364
TYR F 352
TYR F 356
1.54A12.74
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)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ARG A 273
TYR A 279
ASN A 154
1.52A21.47
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)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU B  38
GLY F 434
VAL F 404
TYR F 440
TYR F 481
1.80A21.47
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)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE F 364
TYR F 352
TYR F 356
1.50A13.01
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ARG A 273
SER A 280
TYR A 279
1.51A22.16
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)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE F 364
TYR F 352
TYR F 356
1.51A12.88
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)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.71A17.90
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)		3e9s NSP3
(SARSr-CoV)		3 / 3
ARG A  66
SER A  86
TYR A  84
1.37A17.73
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG A 298
TYR A 209
ASN A 214
1.40A17.90
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)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
TYR A 118
SER A 123
VAL A 125
TYR A 126
1.72A16.62
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_1
(DIPEPTIDYL PEPTIDASE
4)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
TYR A 118
SER A 123
VAL A 125
TYR A 126
1.73A16.62
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)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG B 105
TYR A 182
ASN A 151
1.55A16.62
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_1
(DIPEPTIDYL PEPTIDASE
4)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A  40
SER A 139
VAL A 114
TYR A 161
HIS A 172
1.76A18.80
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ARG A  40
SER A 139
VAL A 114
TYR A 161
HIS A 172
1.74A15.81
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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG A   4
SER B 121
TYR B 118
1.19A15.81
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)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 283
VAL B 114
TYR B 126
ASN B 142
HIS B 172
1.78A19.85
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		3i6g HLA, A-2
(Homo
sapiens)		5 / 12
GLU D  63
GLY D  62
ARG D  44
VAL D  28
TYR D 171
1.76A18.13
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		3i6g HLA, A-2
(Homo
sapiens)		5 / 12
GLU A 264
GLY A 265
VAL A  28
TYR A 209
HIS A   3
1.75A18.13
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		3 / 3
ARG F  81
SER F  11
TYR F  10
1.51A8.93
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)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		3 / 3
PHE A 241
TYR B  63
TYR B  26
1.55A18.13
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		3i6k HLA, A-2
(Homo
sapiens)		3 / 3
PHE A  22
TYR A  99
TYR A   7
1.30A18.15
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)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		3 / 3
PHE B  56
TYR A  27
TYR B  63
1.68A8.66
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_1
(DIPEPTIDYL PEPTIDASE
4)		3i6l HLA, A-24
(Homo
sapiens)		5 / 12
GLU D 264
GLY D 265
VAL D  28
TYR D 209
HIS D   3
1.79A15.85
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.75A17.36
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.75A17.36
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.75A19.85
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.66A19.70
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.66A19.70
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)		3sci ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
GLY E 434
VAL E 404
TYR E 440
TYR E 481
HIS A  34
1.64A15.08
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)		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
1.68A14.05
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ARG B 273
SER B 280
TYR B 279
1.42A22.30
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ARG B 273
TYR B 279
ASN B 154
1.55A21.61
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)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE F 364
TYR F 352
TYR F 356
1.63A13.79
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)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 109
ARG A 131
VAL A  13
ASN A 151
VAL A 157
1.59A16.99
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)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.73A16.99
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)		3to2 BETA-2-MICROGLOBULIN
MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
SER B  33
VAL C   9
TYR A 116
TYR A 118
HIS A  74
1.78A8.93
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.70A18.16
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.70A18.16
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)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ARG A  66
SER A  86
TYR A  84
1.04A17.72
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)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ARG A 139
GLU A 135
TYR A  84
VAL A  12
ASN A  14
1.73A17.01
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		3 / 3
ARG A  54
SER B 246
TYR B 208
0.75A8.96
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)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		3 / 3
ARG A  66
SER A  86
TYR A  84
1.40A17.73
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_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		3 / 3
PHE A  57
TYR A  73
TYR A  72
1.41A17.73
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		3 / 3
ARG A 141
TYR A 113
ASN A 263
1.21A17.08
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)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		3 / 3
ARG A 102
TYR A 112
ASN A 267
1.18A17.92
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)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG B 298
TYR B 209
ASN B 203
1.20A17.90
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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ARG A 298
TYR A 209
ASN A 214
1.33A16.13
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
PHE D 190
TYR D 124
TYR D 197
1.70A20.37
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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG A  66
SER A  86
TYR A  84
0.98A17.61
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)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG A 141
TYR A 113
ASN A 263
1.34A17.06
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		3 / 3
ARG B  54
SER A 246
TYR A 208
0.61A9.72
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
PHE A 190
TYR A 124
TYR A 197
1.70A20.24
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		3 / 3
ARG A 127
SER A  81
TYR A  94
1.46A8.55
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)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		5 / 12
GLU B 204
ARG A  85
VAL B 243
TYR B 208
VAL B 206
1.75A17.31
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)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
ARG D  66
TYR D  84
ASN D 157
1.52A17.22
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG B 441
SER B 386
VAL B 420
TYR B 410
VAL B 496
1.80A20.95
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_1
(DIPEPTIDYL PEPTIDASE
4)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
GLU A 252
GLY A 121
ARG A  46
TYR A 274
VAL A 271
1.75A18.19
None
None
None
NAG  A 501 ( 4.4A)
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)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE A  59
TYR A 266
TYR A  53
1.60A17.66
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_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
GLU B 944
ARG B 847
VAL B1127
ASN B1129
VAL B1128
1.42A21.41
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
GLU B 944
ARG B 847
VAL B1127
ASN B1129
VAL B1128
1.43A21.10
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		5x59 S PROTEIN
(MERS-CoV)		3 / 3
ARG A 822
TYR A 809
ASN A 832
1.33A21.10
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ARG B 747
TYR B 723
ASN A 304
1.21A20.63
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
PHE B  59
TYR B 266
TYR B  53
1.42A21.24
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
ARG A 207
SER A  64
TYR A  63
1.36A21.24
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
PHE A  59
TYR A 195
TYR A 197
1.63A20.63
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)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
GLU B 513
TYR C 409
VAL C 575
TYR C 577
ASN C 582
1.66A21.41
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		5x5c S PROTEIN
(MERS-CoV)		3 / 3
PHE B1172
TYR B1192
TYR B1186
1.76A21.41
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
GLU B 549
GLY B 552
VAL C 109
TYR C 292
VAL C 153
1.67A21.10
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE C  59
TYR C 195
TYR C  41
1.69A20.29
PHE  C  59 ( 1.3A)
TYR  C 195 ( 1.3A)
TYR  C  41 ( 1.3A)
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)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG B 747
SER B 985
TYR B 989
1.47A20.95
ARG  B 747 ( 0.6A)
SER  B 985 ( 0.0A)
TYR  B 989 ( 1.3A)
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)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
ARG A  66
SER A  86
TYR A  84
1.07A17.75
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)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG A 342
GLY C 225
ARG A 449
VAL A 420
VAL A 498
1.48A20.29
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG A 495
SER A 353
TYR A 352
1.03A21.19
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE A 364
TYR A 352
TYR A 356
1.53A20.29
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6acg ACE2
(Homo
sapiens)		3 / 3
ARG D 177
SER D 511
TYR D 510
1.04A22.25
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ARG A 342
ARG A 449
SER A 500
VAL A 420
VAL A 498
1.50A21.19
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE A  59
TYR A 197
TYR A 195
1.26A21.19
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6ack ACE2
(Homo
sapiens)		3 / 3
ARG D 273
TYR D 279
ASN D 154
1.19A21.32
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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ARG B 747
TYR B 723
ASN C 304
1.07A20.29
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU B 707
GLY B1026
PHE B1024
VAL B 711
VAL B1042
1.56A20.29
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG B 306
SER C 985
TYR C 989
1.50A21.26
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C 183
GLU C  93
VAL C 140
ASN C  96
VAL C 172
1.74A21.26
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C 183
GLU C  93
VAL C 140
ASN C  96
VAL C 172
1.74A21.26
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG C 183
GLU C  93
VAL C 140
ASN C  96
VAL C 172
1.77A19.98
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PHE C  59
TYR C 266
TYR C  53
1.52A21.26
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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 183
GLU B  93
VAL B 140
ASN B  96
VAL B 172
1.67A21.18
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.
4FFW_A_715A801_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
1.70A20.11
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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ARG B 183
GLU B  93
VAL B 140
ASN B  96
VAL B 172
1.67A21.18
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG C 207
TYR C  88
ASN C  65
1.16A20.11
None
None
NAG  C1301 (-1.8A)
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)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLU B 184
GLY B 212
PHE B  62
TYR B  88
VAL B 186
1.60A20.11
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)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
PHE A  59
TYR A 266
TYR A  53
1.30A21.18
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ARG A 495
SER A 353
TYR A 352
1.07A21.18
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		6cs2 ACE2
(Homo
sapiens)		3 / 3
ARG D 273
TYR D 279
ASN D 154
1.60A21.12
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		3 / 3
PHE A  22
TYR A  99
TYR A   7
1.39A17.15
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)		6jyt HELICASE
(SARSr-CoV)		3 / 3
ARG B 409
TYR B 515
ASN B 177
1.12A21.06
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
PHE C 283
TYR C 128
TYR C 129
1.45A20.78
LEU  C 707 (-3.8A)
None
LEU  C 707 ( 3.9A)
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)		6m1d ACE2
(Homo
sapiens)		3 / 3
ARG B 273
SER B 280
TYR B 279
1.48A19.93
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C 707
GLY C1026
PHE C1024
VAL C 711
VAL C1042
1.69A20.82
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
PHE B  59
TYR B 266
TYR B  53
1.45A21.54
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)		6nur NSP12
(SARSr-CoV)		5 / 12
ARG A 654
GLU A 658
PHE A 348
SER A 564
VAL A 560
1.67A20.55
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)		6nur NSP12
(SARSr-CoV)		5 / 12
ARG A 654
GLU A 658
PHE A 348
VAL A 560
ASN A 568
1.59A20.30
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		6nur NSP12
(SARSr-CoV)		3 / 3
PHE A 429
TYR A 884
TYR A 887
1.52A20.30
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		6nus NSP12
(SARSr-CoV)		3 / 3
ARG A 279
SER A 239
TYR A 238
1.35A20.30
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		6nus NSP12
(SARSr-CoV)		5 / 12
GLY A 670
TYR A 456
SER A 681
VAL A 662
VAL A 560
1.72A20.55
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)		6vw1 ACE2
(Homo
sapiens)		3 / 3
ARG A 273
SER A 280
TYR A 279
1.49A22.12
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
PHE L  98
TYR L  91
TYR L  36
1.70A11.96
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
PHE C 104
TYR C  97
TYR C  42
1.70A15.03
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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLU B 152
GLY B  42
VAL B 146
TYR B 149
VAL B 154
1.75A15.24
None
1PE  C 301 (-4.6A)
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLU B 152
GLY B  42
VAL B 146
TYR B 149
VAL B 154
1.70A15.24
None
1PE  C 301 (-4.6A)
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
PHE C 104
TYR C  97
TYR C  42
1.72A15.03
None