Ligand ID: TEI


Drugbank ID:
DB04854
(Febuxostat)


Indication:
For the treatment of hyperuricemia in patients with gout.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TEI' 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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A  29
LEU A  45
PHE A  75
VAL A 102
ALA A 107
1.40A7.12
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU F 944
LEU F 941
THR E 943
ALA D 940
ALA E1155
1.56A6.96
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B1271
LEU B1268
PHE B1230
THR B1201
VAL B1204
1.56A13.24
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A  44
LEU A  41
THR E  43
ALA C  40
ALA D   7
1.56A4.04
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU A 342
ASN A 338
LEU A 308
SER A 321
ALA A 220
1.61A8.79
GOL  A1010 (-4.5A)
GOL  A1010 (-3.0A)
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 12
LEU E 340
LEU F 332
PHE F 316
ALA E 309
ALA F 312
1.57A7.36
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU B 161
ASN B 157
LEU B 127
SER B 140
ALA B  39
1.60A9.21
None
APR  B 477 (-3.3A)
APR  B 477 (-4.7A)
None
APR  B 477 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 250
ASN A 203
LEU A 253
THR A 304
ALA A 298
1.45A12.93
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
SER C 174
PHE C 139
THR C 172
ALA C 112
ALA C 111
1.51A9.47
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 120
LEU B 116
SER B 113
ALA B 191
ALA B 193
1.47A18.10
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A  29
LEU A  45
PHE A  75
VAL A 102
ALA A 107
1.48A6.82
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		5 / 12
LEU B  54
SER B  33
PHE B  62
THR A  94
VAL A  12
1.57A6.11
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 120
LEU A 116
SER A 113
ALA A 191
ALA A 193
1.48A17.89
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
LEU A 174
LEU A 170
SER A 167
THR A 308
ALA A 265
1.49A13.83
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
LEU B 697
ASN B 719
SER B 345
VAL B 363
ALA B 671
1.59A22.89
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU B 930
PHE B 764
THR B 760
ALA B1007
ALA B1008
1.47A22.09
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 930
PHE A 764
THR A 760
ALA A1007
ALA A1008
1.52A23.34
LEU  A 930 ( 0.6A)
PHE  A 764 ( 1.3A)
THR  A 760 ( 0.8A)
ALA  A1007 ( 0.0A)
ALA  A1008 ( 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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A 861
PHE A 870
THR A 865
ALA A 874
ALA A 875
1.31A23.38
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6acg ACE2
(Homo
sapiens)		5 / 12
LEU D 120
LEU D 116
SER D 113
ALA D 191
ALA D 193
1.23A17.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 930
PHE C 764
THR C 760
ALA C1007
ALA C1008
1.46A22.99
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 170
SER B 173
PHE B 238
ALA B 250
ALA B 249
0.98A23.25
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 930
PHE A 764
THR A 760
ALA A1007
ALA A1008
1.54A22.08
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		6 / 12
LEU L 141
SER L 179
PHE L 144
THR L 177
ALA L 117
ALA L 116
1.69A11.22
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
LEU H  81
LEU H  79
THR H  98
VAL H  97
ALA H  33
1.43A10.79
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		6 / 12
LEU L 136
SER L 174
PHE L 139
THR L 172
ALA L 112
ALA L 111
1.71A9.36
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L   4
SER L  25
VAL L  27
ALA L  34
ALA L  51
1.45A9.36
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		6 / 12
LEU L 136
SER L 174
PHE L 139
THR L 172
ALA L 112
ALA L 111
1.70A9.36
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L   4
SER L  25
VAL L  27
ALA L  34
ALA L  51
1.45A9.36
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
ASN C 144
LEU C 141
SER C 182
VAL C 169
ALA C 150
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		6 / 12
LYS C 213
LEU C 142
SER C 180
PHE C 145
ALA C 118
ALA C 117
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		6 / 12
LYS C 213
LEU C 142
SER C 180
PHE C 145
ALA C 118
ALA C 117
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		6 / 12
LEU C 142
SER C 180
PHE C 145
THR C 178
ALA C 118
ALA C 117
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
ASN C 144
LEU C 141
SER C 182
VAL C 169
ALA C 150
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
LYS C 213
LEU C 142
SER C 180
PHE C 145
ALA C 118
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		6 / 12
LEU C 142
SER C 180
PHE C 145
THR C 178
ALA C 118
ALA C 117
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
LYS C 213
LEU C 142
SER C 180
PHE C 145
ALA C 118
1.56A
None