Ligand ID: E20


Drugbank ID:
DB00843
(Donepezil)


Indication:
For the palliative treatment of mild to moderate dementia of the Alzheimer's type.

Get human targets for E20 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'E20' 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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
GLY A  35
TYR A  91
SER A 221
TYR A 266
GLY A 219
1.67A17.14
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
GLY A 103
GLU A  96
LEU A 110
PHE A 192
PHE A  92
1.78A18.11
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
GLY A 103
GLU A  96
LEU A 110
PHE A 192
PHE A  92
1.74A18.11
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR L  98
GLY E 381
TYR L  31
SER E 383
GLY H  99
1.79A17.96
None
None
None
DMS  L1601 (-3.5A)
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR L  98
GLY E 381
TYR L  31
SER E 383
GLY H  99
1.79A17.96
None
None
None
DMS  L1601 (-3.5A)
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR L  98
GLY E 381
TYR L  31
SER E 383
GLY H  99
1.80A17.96
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR L  98
GLY E 381
TYR L  31
SER E 383
GLY H  99
1.79A17.96
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR C  98
GLY A 381
TYR C  31
SER A 383
GLY B  99
1.79A17.96
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 11
TYR C  98
GLY A 381
TYR C  31
SER A 383
GLY B  99
1.80A17.96
None