Ligand ID: TLF


Drugbank ID:
DB09216
(Tolfenamic Acid)



Indication:
For the treatment of migraine.


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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TLF' 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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
1q2w 3C-LIKE PROTEASE
(SARSr-CoV)
5 / 12
VAL B  73
VAL B  91
LEU B  89
VAL B  20
GLY B  29
1.49A19.40
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A  42
VAL A  36
VAL A  77
GLY A  79
LEU A  87
1.48A20.30
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
1uw7 NSP9
(SARS-COV
HKU-39849)
5 / 12
VAL A  41
LEU A  -8
VAL A 102
ALA A  43
LEU A  44
1.56A14.92
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
1wnc E2 GLYCOPROTEIN
(SARSr-CoV)
4 / 7
LEU D 941
ALA F 938
VAL F1157
ALA E 940
1.09A15.32
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
1x7q HLA, A-11
(Homo
sapiens)
5 / 12
VAL A  28
VAL A 103
LEU A 110
GLY A   1
LEU A 172
1.27A19.64
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)
4 / 7
LEU I  41
ALA G  38
VAL L   9
ALA K  40
1.16A9.20
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)
5 / 12
VAL B  73
VAL B  91
LEU B  89
VAL B  20
GLY B  29
1.49A20.44
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)
5 / 12
VAL A 337
VAL A 198
TYR A 191
ALA A 306
LEU A 308
1.47A17.92
GOL  A1010 (-3.8A)
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)
5 / 12
VAL C 198
LEU C 309
LEU C 235
VAL C 218
ALA C 306
1.31A17.92
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)
5 / 12
VAL A  38
VAL A  27
LEU A  65
VAL A  63
LEU A  19
1.52A9.93
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)
5 / 12
VAL C  21
SER G  90
GLY C  69
ALA C  70
LEU C  64
1.46A9.93
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
LEU B 941
ALA A 938
VAL F1158
ALA C 940
1.16A8.33
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL S 354
LEU S 355
SER S 353
ALA S 350
LEU S 322
1.28A17.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL S 349
VAL S 354
TYR S 352
GLY S 326
LEU S 322
1.52A17.43
None
None
None
NAG  S1330 (-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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2dd8 IGG HEAVY CHAIN
(Homo
sapiens)
5 / 12
VAL H  67
ARG H  66
VAL H  18
TYR H  90
GLY H  15
1.55A17.20
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
3 / 3
LEU B 141
TYR B 126
SER B 147
1.33A20.30
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)
5 / 12
VAL A 156
VAL A  17
TYR A  10
ALA A 125
LEU A 127
1.47A16.08
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)
5 / 12
VAL A  17
LEU A 128
LEU A  54
VAL A  37
ALA A 125
1.29A16.08
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
5 / 12
VAL B 126
LEU B 124
SER B 241
MET B 207
VAL B 206
1.50A19.96
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)
3 / 3
LEU A  76
TYR C  36
SER C  86
0.86A19.96
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)
3 / 3
TYR B 168
TYR A 436
SER B 101
1.71A17.06
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)
5 / 7
LEU D   4
HIS D  35
ALA D  97
TYR D  95
ALA D 175
1.70A20.99
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL A 496
PHE A 329
PHE A 325
ILE A 345
PHE A 501
1.50A21.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)
5 / 12
VAL A 303
VAL A 236
VAL A 338
GLY A 229
LEU A 227
1.56A19.75
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)
5 / 12
VAL A 296
VAL A 212
GLY A 215
ALA A 211
LEU A 282
1.50A12.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)
5 / 12
VAL A 296
VAL A 212
GLY A 215
ALA A 211
LEU A 282
1.52A12.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)
3 / 3
LEU A 160
TYR A  88
SER A  52
1.40A13.32
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)
5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.32A19.68
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)
4 / 7
ILE C  79
LEU C 119
VAL C  96
ALA C 108
0.95A22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)
6 / 12
VAL A  77
VAL A  42
LEU A  27
MET A  17
VAL A  18
LEU A  89
1.79A20.30
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2qc2 3C-LIKE PROTEINASE
(-)
5 / 12
VAL A  42
VAL A  36
VAL A  77
GLY A  79
LEU A  87
1.52A19.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A  73
VAL A  91
LEU A  89
VAL A  20
GLY A  29
1.50A20.30
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2w2g NSP3
(SARSr-CoV)
5 / 12
TYR A 495
VAL A 445
GLY A 446
ALA A 474
LEU A 475
1.35A18.48
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 7
ILE A 207
LEU A  54
ALA A 168
VAL A 169
ALA A 209
1.22A21.04
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 12
PHE A 156
ILE A  68
VAL A  96
PHE A  70
HIS A 119
1.54A20.95
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 7
ILE A 207
LEU A  54
ALA A 168
VAL A 169
ALA A 209
1.22A20.37
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
2z9l 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.33A20.30
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)
3 / 3
LEU B 100
TYR A 491
SER C  30
1.51A16.04
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
3 / 3
LEU B  24
TYR F 475
SER F 461
1.37A22.05
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
5 / 12
VAL A 487
LEU A 444
LEU A 281
VAL A 244
LEU A 267
1.50A22.05
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
VAL A 110
SER A 105
LEU B  42
ALA B   8
LEU B 112
1.38A16.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
VAL A 110
SER A 105
LEU B  42
ALA B   8
LEU B 112
1.38A16.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A  42
VAL A  36
VAL A  77
GLY A  79
LEU A  87
1.55A19.54
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3i6g HLA, A-2
(Homo
sapiens)
5 / 12
VAL D  28
VAL D 103
LEU D 110
GLY D   1
LEU D 172
1.21A19.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3i6k HLA, A-2
(Homo
sapiens)
3 / 3
LEU A  81
TYR A 116
SER A  11
1.12A19.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)
3 / 3
TYR B  66
TYR A  27
SER B  55
1.42A11.09
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3i6l HLA, A-24
(Homo
sapiens)
5 / 12
VAL D  28
VAL D 103
LEU D 110
GLY D   1
LEU D 172
1.21A19.10
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL B  68
LEU B  67
VAL B  73
GLY B  71
ALA B  70
1.29A18.96
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)
6 / 12
VAL A  77
VAL A  42
LEU A  27
MET A  17
VAL A  18
LEU A  89
1.79A21.14
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
VAL A  42
VAL A  36
VAL A  77
GLY A  79
LEU A  87
1.52A21.14
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 12
PHE A 156
ILE A  68
SER A  98
PHE A  70
HIS A 119
1.55A21.97
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)
5 / 7
ILE A 207
LEU A  54
ALA A 168
VAL A 169
ALA A 209
1.23A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)
6 / 12
VAL F 496
PHE F 329
PHE F 325
ILE F 345
VAL F 382
PHE F 501
1.67A20.64
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)
3 / 3
LEU B  24
TYR F 475
SER F 461
1.49A21.73
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
3 / 3
LEU A 163
TYR A 265
SER A 112
1.58A19.41
None
None
NA  A 402 (-4.3A)
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)
5 / 12
VAL A 126
LEU A 124
SER A 241
MET A 207
VAL A 206
1.49A19.41
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
4tww 3C-LIKE PROTEINASE
(SARSr-CoV)
5 / 12
PHE B 305
ILE B 213
VAL B 296
SER B 301
VAL B 303
1.37A22.55
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 12
VAL B 381
LEU B 442
MET B 315
VAL B 316
ALA B 320
1.27A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 12
VAL B 381
LEU B 442
MET B 315
VAL B 316
ALA B 320
1.18A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)
5 / 12
VAL D 269
SER D 271
VAL D  91
GLY D  93
LEU D 152
1.36A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
5 / 12
VAL D 269
SER D 271
VAL D  91
GLY D  93
LEU D 152
1.31A21.03
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)
5 / 12
PHE D  89
ILE D  87
VAL D 181
VAL D 115
PHE D 111
1.49A19.55
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5tl6 UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens)
5 / 12
VAL A  86
VAL A  98
LEU A  82
SER A  83
GLY A 141
1.51A10.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)
5 / 12
VAL A 102
VAL A 146
SER A 123
GLY A 139
LEU A 135
1.34A10.79
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)
5 / 12
VAL A 102
VAL A 146
SER A 123
GLY A 139
LEU A 135
1.32A10.79
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL A 718
VAL A 945
TYR A 989
LEU A 810
LEU A 840
1.50A18.31
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
LEU C 636
ALA C 595
VAL C 594
ALA C 658
1.07A14.29
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL A 307
VAL A 537
LEU A 538
LEU A 532
GLY A 534
1.37A18.31
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)
5 / 12
VAL C  62
VAL D  24
LEU D  27
VAL D  47
LEU C  65
1.43A8.66
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
5x4r S PROTEIN
(MERS-CoV)
5 / 12
VAL A  33
PHE A  39
ILE A 131
SER A 299
VAL A 102
1.54A19.89
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
VAL A 497
VAL A 510
PHE A 501
VAL A 328
PHE A 325
1.56A12.31
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 7
ILE A 852
ALA A1037
VAL A1042
TYR A 855
ALA A 854
1.74A14.61
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x59 S PROTEIN
(MERS-CoV)
5 / 12
SER C 856
VAL C 958
GLY C 957
ALA C 968
LEU B 780
1.42A16.82
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
5x59 S PROTEIN
(MERS-CoV)
5 / 12
VAL C  33
ILE C 131
VAL C 130
SER C 299
VAL C 102
1.46A13.03
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x59 S PROTEIN
(MERS-CoV)
3 / 3
LEU C 840
TYR B 361
SER B 358
1.08A16.82
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x59 S PROTEIN
(MERS-CoV)
3 / 3
TYR B1192
TYR B1141
SER C 966
1.30A16.82
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x59 S PROTEIN
(MERS-CoV)
5 / 12
SER C 856
VAL C 958
GLY C 957
ALA C 968
LEU B 780
1.44A16.82
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
VAL C 642
SER C 659
LEU C 597
GLY C 638
ALA C 639
1.33A18.18
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)
5 / 12
VAL C 642
SER C 659
LEU C 597
GLY C 638
ALA C 639
1.30A18.18
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL C 497
VAL C 510
PHE C 501
VAL C 328
PHE C 325
1.38A12.35
VAL  C 497 ( 0.6A)
VAL  C 510 ( 0.5A)
PHE  C 501 ( 1.3A)
VAL  C 328 ( 0.6A)
PHE  C 325 ( 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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
3 / 3
LEU A 216
TYR A  88
SER A  36
0.80A18.31
LEU  A 216 ( 0.5A)
TYR  A  88 ( 1.3A)
SER  A  36 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)
3 / 3
TYR A 738
TYR C 738
SER A 985
1.21A18.31
TYR  A 738 ( 1.3A)
TYR  C 738 ( 1.3A)
SER  A 985 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL B 114
VAL B 196
LEU B 257
GLY B  86
LEU B 194
1.43A18.31
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL B 496
PHE B 329
PHE B 325
ILE B 345
PHE B 501
1.46A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6acg ACE2
(Homo
sapiens)
4 / 7
LEU D 108
VAL D 184
TYR D 199
ALA D 191
1.14A20.68
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
ILE C 674
ALA C 595
VAL C 596
ALA C 676
0.95A14.87
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)
3 / 3
TYR B 367
TYR B 494
SER B 362
1.66A18.31
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6acg ACE2
(Homo
sapiens)
3 / 3
TYR D  50
TYR D 510
SER D 124
1.75A21.26
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6ack ACE2
(Homo
sapiens)
5 / 12
VAL D 447
VAL D 244
LEU D 248
GLY D 268
LEU D 444
1.39A21.26
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6ack ACE2
(Homo
sapiens)
5 / 12
SER D 502
TYR D 127
LEU D 267
GLY D 272
LEU D 456
1.51A21.26
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL C 307
VAL C 537
LEU C 538
LEU C 532
GLY C 534
1.37A18.31
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6ack ACE2
(Homo
sapiens)
3 / 3
LEU D 120
TYR D 199
SER D 105
1.34A21.26
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
4 / 7
ILE A 674
ALA A 595
VAL A 596
ALA A 676
1.13A14.48
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
3 / 3
LEU B 182
TYR B  88
SER B  35
1.38A18.18
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
4 / 7
ILE B 674
ALA B 595
VAL B 596
ALA B 676
1.00A14.55
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
3 / 3
TYR B 622
TYR B 660
SER B 591
1.33A18.18
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)
5 / 12
VAL B 420
PHE B 325
ILE B 345
VAL B 510
VAL B 498
1.39A12.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6cs2 ACE2
(Homo
sapiens)
4 / 7
LEU D 108
VAL D 184
TYR D 199
ALA D 191
1.12A20.87
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6iex MHC CLASS I ANTIGEN
(Homo
sapiens)
3 / 3
LEU A 147
TYR A 116
SER A  77
0.93A18.81
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6iex MHC CLASS I ANTIGEN
(Homo
sapiens)
5 / 12
VAL A  28
VAL A 103
LEU A 110
GLY A   1
LEU A 172
1.42A18.81
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6jyt HELICASE
(SARSr-CoV)
3 / 3
TYR A  93
TYR A  70
SER A  44
1.54A20.92
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6jyt HELICASE
(SARSr-CoV)
5 / 12
VAL A 154
VAL A 226
GLY A 150
ALA A 152
LEU A 165
1.55A20.92
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
6m17 ACE2
(Homo
sapiens)
5 / 12
PHE D 684
ILE D 694
SER D 692
VAL D 691
HIS D 493
1.56A14.85
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)
3 / 3
TYR A 129
TYR A 231
SER A 227
1.28A20.37
LEU  A 707 ( 3.9A)
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)
5 / 12
VAL C 585
SER C 188
LEU C 181
GLY C 478
LEU C 484
1.45A20.37
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)
5 / 12
VAL C 585
SER C 188
LEU C 181
GLY C 478
LEU C 484
1.44A20.37
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6m18 ACE2
(Homo
sapiens)
3 / 3
TYR D 515
TYR D 180
SER D 507
1.55A21.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)
5 / 12
VAL A 497
VAL A 510
PHE A 501
VAL A 328
PHE A 325
1.30A11.77
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)
4 / 7
ILE C 674
ALA C 595
VAL C 596
ALA C 676
1.06A14.09
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6nur NSP12
(SARSr-CoV)
3 / 3
TYR A 149
TYR A 237
SER A 185
1.68A20.38
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
6nur NSP12
(SARSr-CoV)
5 / 12
PHE A 275
VAL A 353
TRP A 268
SER A 325
PHE A 326
1.47A14.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6nur NSP7
NSP8
(SARSr-CoV)
5 / 12
VAL D 130
LEU C  56
SER C  57
LEU C  71
ALA D 110
1.40A19.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6nur NSP7
(SARSr-CoV)
5 / 12
VAL C  16
VAL C  66
GLY C  64
ALA C  65
LEU C  20
1.52A9.94
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.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6nus NSP12
(SARSr-CoV)
3 / 3
LEU A 908
TYR A 916
SER A 861
1.20A20.38
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6nus NSP12
(SARSr-CoV)
5 / 12
LEU A 241
LEU A 187
VAL A 182
ALA A 250
LEU A 316
1.47A20.38
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 12
VAL E 367
SER E 366
LEU E 513
ALA E 363
LEU E 335
1.49A17.38
NAG  E 602 (-4.1A)
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 12
VAL E 367
LEU E 368
SER E 366
ALA E 363
LEU E 335
1.31A17.38
NAG  E 602 (-4.1A)
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)
6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 12
VAL F 511
VAL F 524
PHE F 515
VAL F 341
PHE F 338
1.50A22.87
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
ILE L 106
LEU L  78
TYR L 140
ALA L  12
1.58A18.55
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
4 / 7
ILE L  75
ALA L  19
TYR L  86
ALA L  84
1.70A18.55
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
5 / 12
VAL L  58
ARG L  54
SER L  76
GLY L  64
LEU L  47
1.66A15.62
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.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)
5 / 12
VAL L  58
ARG L  54
SER L  76
GLY L  64
LEU L  47
1.73A15.62
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
3 / 3
TYR C  42
TYR C  31
SER B 103
1.55A18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
3 / 3
TYR L  42
TYR L  31
SER H 103
1.55A18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)
6ym0 LIGHT CHAIN
(Homo
sapiens)
5 / 12
VAL L 138
LEU L 185
LEU L 160
VAL L 156
ALA L 199
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)
3 / 3
TYR L  42
TYR L  31
SER H 103
1.55A18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
3 / 3
TYR C  42
TYR C  31
SER B 103
1.55A18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)
3 / 3
TYR L  42
TYR L  31
SER H 103
1.55A18.39
None