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-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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
GLY B 138
TYR B 126
SER A   1
TYR B 161
GLY B 170
1.74A19.31
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)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 11
GLY H  49
TYR H  59
SER H  35
TYR S 491
GLY S 488
1.76A18.33
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)		2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
TYR B 118
GLY A   2
SER B 139
HIS B 172
GLY B 170
1.58A21.85
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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
TRP C 332
GLY C 238
TYR C 237
LEU C 214
HIS C 249
1.73A21.51
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)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
TYR A 171
GLU A 166
TYR A 159
TYR A   7
GLY A 162
1.77A18.86
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		6ack ACE2
(Homo
sapiens)		5 / 10
TYR D 515
LEU D 456
PHE D 504
TYR D 510
HIS D 345
1.48A23.24
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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
GLY C  51
SER C 430
TRP C  56
TYR C 128
GLY C 434
1.43A22.52
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)		6m1d ACE2
(Homo
sapiens)		5 / 11
TYR D 217
TYR D 207
SER D 511
TRP D 566
TYR D 516
1.62A20.24
None