Ligand ID: RXM


Drugbank ID:
DB01220
(Rifaximin)


Indication:
Rifaximin has multiple indications by the FDA: for the treatment of patients (≥12 years of age) with traveller's diarrhea caused by noninvasive strains of Escherichia coli; for the reduction of overt hepatic encephalopathy recurrence in patients ≥18 years of age; and in May 2015 it was approved for irritable bowel syndrome with diarrhea (IBS-D) treatment in adult men and women.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RXM' 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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE E 325
PHE E 329
VAL E 394
PHE E 501
VAL E 328
1.55A16.94
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
PHE B 700
PHE B 888
PHE B 909
VAL B 897
GLN B 895
1.50A19.93
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE C 700
PHE C 888
PHE C 909
VAL C 897
GLN C 895
1.44A20.05
PHE  C 700 ( 1.3A)
PHE  C 888 ( 1.3A)
PHE  C 909 ( 1.3A)
VAL  C 897 ( 0.6A)
GLN  C 895 ( 0.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
GLN B 766
GLU B 707
PHE B1044
VAL B1042
GLN B1036
1.34A20.05
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PHE C 700
PHE C 888
PHE C 909
VAL C 897
GLN C 895
1.52A19.90
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
PHE B 909
PHE B1034
VAL B 767
PHE B 779
VAL B1047
1.33A19.90
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.
6BEE_B_RXMB601_0
(SCAFFOLD PROTEIN D13)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
PHE A 700
PHE A 888
PHE A 909
VAL A 897
GLN A 895
1.48A18.90
None