Ligand ID: X89


Drugbank ID:
DB01110
(Miconazole)


Indication:
For topical application in the treatment of tinea pedis (athlete’s foot), tinea cruris, and tinea corporis caused by Trichophyton rubrum, Trichophyton mentagrophytes, and Epidermophyton floccosum, in the treatment of cutaneous candidiasis (moniliasis), and in the treatment of tinea versicolor.

Get human targets for X89 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'X89' 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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.32A21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE D 916
ALA D1171
LEU E 920
ALA E 926
LEU E 927
1.24A15.54
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 234
VAL B 204
LEU B 250
ALA B 210
TYR B 209
1.34A22.02
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE I  16
ALA H  23
LEU K  20
ALA K  26
LEU K  27
1.26A8.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		1zvb E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A   1
LEU A   2
VAL A   6
LEU C   2
LEU B   9
1.34A7.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2ajf ACE2
(Homo
sapiens)		5 / 12
ALA B 443
LEU B 440
HIS B 241
ALA B 251
LEU B 248
1.27A21.08
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 916
ALA D1172
LEU C 920
ALA C 926
LEU C 927
1.27A6.22
ACE  B 913 ( 3.9A)
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.32A21.40
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		6 / 12
ALA B 160
LEU B 161
VAL B 156
LEU B 141
ALA B  18
LEU B  11
1.71A20.37
None
None
APR  B 477 ( 4.9A)
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
LEU A  93
VAL A  75
HIS A  70
ALA A  65
LEU A  66
1.22A16.36
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.31A21.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.34A15.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.34A21.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE D 252
LEU D 299
VAL D 303
ALA D 231
LEU D 331
1.28A23.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ILE A 436
ALA A 443
LEU A 440
ALA A 251
LEU A 248
1.25A20.92
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.32A21.40
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
ALA C 234
VAL A 204
LEU C 250
ALA A 210
TYR A 209
1.34A14.93
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
ALA B 443
LEU B 440
HIS B 241
ALA B 251
LEU B 248
1.28A19.97
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ILE D 332
ALA D 396
LEU D 383
VAL D 317
ALA D 344
1.32A21.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5x5f S PROTEIN
(MERS-CoV)		6 / 12
ALA B 838
LEU B 835
VAL B 802
LEU B1078
ALA B1037
LEU B1036
1.45A13.92
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 916
LEU A 920
LEU C 920
ALA C 926
LEU C 927
1.34A11.41
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		6acj ACE2
(Homo
sapiens)		5 / 12
ALA D 443
LEU D 440
HIS D 241
ALA D 251
LEU D 248
1.20A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		6cs2 ACE2
(Homo
sapiens)		5 / 12
ALA D 443
LEU D 440
HIS D 241
ALA D 251
LEU D 248
1.32A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		6 / 12
ALA A 125
LEU A 126
HIS A   9
LEU A 160
TYR A 159
LEU C   5
1.40A18.29
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		6m17 ACE2
(Homo
sapiens)		5 / 12
ALA B 443
LEU B 440
HIS B 241
ALA B 251
LEU B 248
1.28A18.94
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
PHE H 122
ALA H 125
LEU H 124
VAL L 133
LEU L 181
1.57A18.77
None