Ligand ID: 6JP


Drugbank ID:
DB01094
(Hesperetin)


Indication:
For lowering cholesterol and, possibly, otherwise favorably affecting lipids. In vitro research also suggests the possibility that hesperetin might have some anticancer effects and that it might have some anti-aromatase activity, as well as activity again.

Get human targets for 6JP in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '6JP' 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.
5JDC_D_6JPD302_1
(PTERIDINE REDUCTASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 11
SER A 145
PHE A 148
ASP A 121
VAL A 116
LEU A 169
1.69A19.41
PO4  A 402 (-4.7A)
None
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.
5JDC_D_6JPD302_1
(PTERIDINE REDUCTASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ARG A 553
SER A 556
PHE B 837
VAL A 562
LEU A 532
1.77A13.06
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.
5JDC_D_6JPD302_1
(PTERIDINE REDUCTASE)		6ack ACE2
(Homo
sapiens)		5 / 11
HIS D 493
PHE D 452
VAL D 487
LEU D 267
TRP D 165
1.69A19.41
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.
5JDC_A_6JPA302_1
(PTERIDINE REDUCTASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 10
SER L 215
PHE L 209
LEU L 125
PRO L 120
HIS L 189
1.45A19.79
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.
5JDC_D_6JPD302_1
(PTERIDINE REDUCTASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11
HIS L 189
SER L 215
PHE L 209
LEU L 125
PRO L 120
1.42A19.79
None