Ligand ID: D95


Drugbank ID:
DB09274
(Artesunate)


Indication:
For the treatment of severe malaria caused by *Plasmodium falciparum* in adults and children [L891]

Get human targets for D95 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'D95' 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.
6FGC_A_D95A816_0
(GEPHYRIN)		6m71 NSP12
(SARS-CoV-2)		5 / 11
ASP A 865
ILE A 864
LEU A 838
ARG A 858
ILE A 548
1.72A18.13
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.
6FGC_A_D95A816_0
(GEPHYRIN)		6w02 NSP3
(SARS-CoV-2)		5 / 11
PHE A 132
ILE A 131
LEU A 127
PRO A  98
ILE A 106
1.76A18.77
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
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.
6FGC_A_D95A816_0
(GEPHYRIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
PHE B 132
ILE B 131
LEU B 127
PRO B  98
ILE B 106
1.78A18.93
APR  B 201 (-3.6A)
APR  B 201 (-3.3A)
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.
6FGC_A_D95A816_0
(GEPHYRIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
PHE A 132
ILE A 131
LEU A 127
PRO A  98
ILE A 106
1.69A18.93
APR  A 201 (-3.1A)
APR  A 201 (-3.8A)
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.
6FGC_A_D95A816_0
(GEPHYRIN)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 11
PHE B 132
ILE B 131
LEU B 127
PRO B  98
ILE B 106
1.75A18.33
None
None
None
None
EDO  B 204 ( 4.5A)