Ligand ID: IU5


Drugbank ID:
DB01586
(Ursodeoxycholic acid)


Indication:
The drug reduces cholesterol absorption and is used to dissolve (cholesterol) gallstones in patients who want an alternative to surgery.

Get human targets for IU5 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'IU5' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 241
MET A 124
ILE A 145
ILE A 244
TYR A 788
1.68A13.93
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
HIS B1048
MET B1050
ILE B 909
PHE B 906
ILE B 923
1.30A11.07
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
HIS B1048
MET B1050
ILE B 909
PHE B 906
ILE B 923
1.27A10.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
HIS A1048
MET A1050
ILE A 909
PHE A 906
ILE A 923
1.33A10.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 10
TYR A 194
VAL A 321
VAL A 319
GLU A 305
LEU A 251
1.80A23.54
None
None
None
EDO  A 411 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 251
ARG A 349
SER A 318
PHE A 321
TYR A 294
1.75A13.93
None