Ligand ID: AVL


Drugbank ID:
DB05266
(Ibudilast)


Indication:
For the treatment of multiple sclerosis, asthma, and cerebrovascular disease.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AVL' 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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE A 195
TYR A 325
PRO A 154
GLN A 176
1.54A15.26
EDO  A 414 (-4.8A)
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE A 195
TYR A 325
PRO A 154
GLN A 176
1.74A16.18
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE B 195
TYR B 325
PRO B 154
GLN B 176
1.77A16.18
None
None
None
ACT  B 407 (-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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PHE A 694
TYR A 619
GLN A 789
PHE A 782
1.77A8.39
None