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-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.
6FGC_A_D95A816_0
(GEPHYRIN)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		5 / 11
ASP D 359
PHE D 287
ILE D 358
LEU D 354
ILE D 293
1.76A14.08
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)		2w2g NSP3
(SARSr-CoV)		5 / 11
PHE A 414
ILE A 459
LEU A 475
LEU A 413
MET A 428
1.71A19.91
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)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
PHE D  60
LEU D   7
LEU D 192
ILE D 201
MET D  72
1.78A22.16
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)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
MET B 195
PHE B 183
LEU B 170
LEU B 185
ILE B  74
1.64A22.30
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
PHE A  60
LEU A   7
LEU A 192
ILE A 201
MET A  72
1.66A22.06
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP C 719
LEU C 944
LEU C 745
ARG C 982
ILE C 979
1.57A17.19
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)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE C 529
LEU C 571
LEU C 532
ARG C 315
PRO C 565
1.66A16.61
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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
ILE C 239
LEU C 238
LEU C 244
ILE C 407
MET C 410
1.75A19.48
None