Ligand ID: AIN


Drugbank ID:
DB00945
(Acetylsalicylic acid)


Indication:
For use in the temporary relief of various forms of pain, inflammation associated with various conditions (including rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus, osteoarthritis, and ankylosing spondylitis), and is also used to reduce the risk of death and/or nonfatal myocardial infarction in patients with a previous infarction or unstable angina pectoris.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AIN' 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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
LEU B   0
ALA B 210
ILE B 213
0.75A17.09
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
LEU B  69
GLY B  17
ASP B  50
TYR B  89
1.33A20.44
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		1uw7 NSP9
(SARS-COV
HKU-39849)		4 / 4
LEU A  69
GLY A  17
ASP A  50
TYR A  89
1.27A16.08
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU A  -2
ALA A 210
ILE A 213
0.82A16.61
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		1ysy REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		3 / 3
LEU A  61
ALA A  67
ILE A  70
0.93A17.97
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
LEU C  64
ALA G 115
ILE G 112
0.67A16.94
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		3 / 3
LEU H 158
ALA H 193
ILE H 161
1.03A17.79
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 6
ARG C 294
PHE C 364
GLN B 295
PRO C 365
1.76A13.59
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		3 / 3
GLU L   4
GLY L  99
THR L 100
1.00A21.20
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU A 180
GLY A 202
THR A 201
0.74A21.20
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 6
HIS R  48
GLU L  66
PHE L  68
PRO L 107
1.09A13.34
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.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 6
HIS R  48
GLU L  66
PHE L  68
PRO L 107
1.06A13.34
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		3 / 3
LEU A 122
ALA A  94
ILE A  69
1.03A15.85
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU A 618
GLY A 646
THR A 643
1.04A18.07
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2jzf REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU A 618
GLY A 646
THR A 643
0.92A18.24
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		3 / 3
LEU A 220
ALA A 211
ILE A 281
1.00A19.55
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
LEU A  58
ALA A  64
ILE A  85
0.98A22.06
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2kqv NSP3
(SARSr-CoV)		3 / 3
GLU A  96
GLY A 124
THR A 121
0.91A21.93
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2mm4 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr)		3 / 3
GLU A   8
GLY A  10
THR A   9
0.77A10.00
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		3 / 3
LEU A 114
ALA A 139
ILE A  -3
0.67A18.92
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
HIS B 242
GLU D 326
GLN D 188
PRO D 190
1.46A19.06
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.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 6
HIS B 242
GLU D 326
GLN D 188
PRO D 190
1.52A19.06
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
LEU D 122
ALA D  94
ILE D  69
0.88A15.62
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		2w2g NSP3
(SARSr)		3 / 3
GLU A 524
GLY A 527
THR A 528
0.90A20.40
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
LEU A 144
ALA A 164
ILE A 151
1.01A12.21
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		3e9s NSP3
(SARSr-CoV)		3 / 3
GLU A 180
GLY A 202
THR A 201
0.64A21.88
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU A 220
ALA A 211
ILE A 281
1.05A16.77
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 4
LEU A  69
GLY A  17
ASP A  50
TYR A  89
1.26A19.71
None
None
GOL  A 126 (-3.0A)
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		3i6g BETA-2-MICROGLOBULIN
(Homo
sapiens)		4 / 6
ARG B  12
GLU B  69
PHE B  70
PRO B  72
1.75A10.62
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		3i6l HLA, A-24
(Homo
sapiens)		3 / 3
GLU D  62
GLY D  65
THR D  64
0.72A20.30
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU C 220
ALA C 211
ILE A 281
1.01A16.77
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
GLU A 180
GLY A 202
THR A 201
0.93A22.14
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		3 / 3
GLU B 180
GLY B 202
THR B 201
0.84A21.20
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU A 220
ALA A 211
ILE A 281
1.00A17.55
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
GLU B 132
GLY B 123
THR B 122
1.07A20.99
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.
4NSB_A_AINA402_1
(CHITINASE-3-LIKE
PROTEIN 1)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
THR B 113
ARG B  84
TRP B  86
LEU B 174
1.67A19.85
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU D 180
GLY D 202
THR D 201
0.56A22.22
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		4 / 4
LEU F  50
GLY F  47
ASP D  63
TYR F  59
1.71A20.49
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
GLU D 180
GLY D 202
THR D 201
0.66A21.47
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		3 / 3
GLU B   8
GLY B  10
THR B  11
1.08A12.35
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
GLU A 268
GLY A 270
THR A 271
1.07A22.87
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
LEU A 597
ALA A 639
ILE A 674
0.73A6.70
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 4
LEU C 286
GLY C 587
ASP C 296
TYR C 300
1.38A7.01
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
LEU C1058
ALA B 432
ILE C1055
0.76A6.64
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		5x5f S PROTEIN
(MERS-CoV)		4 / 4
LEU A 638
GLY A 578
ASP A 580
TYR A 632
1.43A7.20
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
GLU C 268
GLY C 270
THR C 271
0.53A14.29
GLU  C 268 ( 0.5A)
GLY  C 270 ( 0.0A)
THR  C 271 ( 0.8A)
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
LEU B 286
GLY B 587
ASP B 296
TYR B 300
1.29A7.06
LEU  B 286 ( 0.6A)
GLY  B 587 ( 0.0A)
ASP  B 296 ( 0.5A)
TYR  B 300 ( 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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		3 / 3
GLU A 180
GLY A 202
THR A 201
0.62A21.88
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU B1045
ALA B 912
ILE B 913
0.75A6.77
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
LEU A 286
GLY A 587
ASP A 296
TYR A 300
1.25A7.06
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
GLU A 268
GLY A 270
THR A 271
1.00A14.87
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
LEU A 194
ALA A 127
ILE A 226
0.93A7.15
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
GLU C 268
GLY C 270
THR C 271
1.00A14.48
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
LEU B 286
GLY B 587
ASP B 296
TYR B 300
1.24A6.96
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
LEU C 355
ALA C 350
ILE C 345
0.81A6.91
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
GLU B 268
GLY B 270
THR B 271
0.87A14.55
NAG  B1303 (-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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
LEU B 286
GLY B 587
ASP B 296
TYR B 300
1.30A7.08
None
None
NAG  B1308 (-4.2A)
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ARG C 306
PHE A 837
GLN A 835
PRO C 575
1.64A18.70
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.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ARG C 306
PHE A 837
GLN A 835
PRO C 575
1.62A18.70
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6lzg ACE2
(Homo
sapiens)		3 / 3
LEU A 144
ALA A 164
ILE A 151
1.02A11.83
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6m0j ACE2
(Homo
sapiens)		3 / 3
LEU A 144
ALA A 164
ILE A 151
1.04A11.83
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		6m0j ACE2
(Homo
sapiens)		4 / 6
HIS A 540
GLU A 430
PHE A 428
GLN A 429
1.56A20.97
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.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		6m0j ACE2
(Homo
sapiens)		4 / 6
HIS A 540
GLU A 430
PHE A 428
GLN A 429
1.61A20.97
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
LEU C 429
ALA C 222
ILE C 225
0.90A10.03
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
GLU A 217
GLY A 220
THR A 219
0.62A19.72
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6m1d ACE2
(Homo
sapiens)		3 / 3
LEU B 529
ALA B 533
ILE B 544
0.89A9.72
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
LEU B 286
GLY B 587
ASP B 296
TYR B 300
1.43A7.26
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.
3GCL_A_AINA609_1
(LACTOPEROXIDASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 6
ARG L  51
PHE L 103
GLN L  95
PRO L 101
1.57A15.05
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.
2QQT_A_AINA596_1
(LACTOPEROXIDASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 6
ARG L  51
PHE L 103
GLN L  95
PRO L 101
1.67A15.05
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6nur NSP8
(SARSr-CoV)		3 / 3
LEU D 103
ALA D 150
ILE D 120
1.04A16.83
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6nur NSP7
NSP8
(SARSr-CoV)		3 / 3
LEU C  59
ALA D 110
ILE D 107
0.81A17.97
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6nus NSP12
(SARSr-CoV)		3 / 3
LEU A 883
ALA A 866
ILE A 837
0.84A10.38
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
LEU H  80
ALA H  78
ILE H  51
1.06A19.02
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
LEU H  80
ALA H  78
ILE H  34
1.28A19.02
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
LEU L 179
ALA L 193
ILE L 117
1.56A21.29
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
LEU H  81
ALA H  79
ILE H  51
1.05A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
LEU B  81
ALA B  79
ILE B  34
1.25A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
LEU B  81
ALA B  79
ILE B  51
1.06A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
LEU H  81
ALA H  79
ILE H  34
1.26A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6ym0 HEAVY CHAIN
(Homo
sapiens)		3 / 3
LEU H  81
ALA H  79
ILE H  51
1.05A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6ym0 HEAVY CHAIN
(Homo
sapiens)		3 / 3
LEU H  81
ALA H  79
ILE H  34
1.22A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
LEU H  81
ALA H  79
ILE H  51
1.05A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
LEU B  81
ALA B  79
ILE B  34
1.25A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
LEU H  81
ALA H  79
ILE H  34
1.26A
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.
1TGM_A_AINA202_1
(PHOSPHOLIPASE A2)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
LEU B  81
ALA B  79
ILE B  51
1.05A
None