Ligand ID: 4DY


Drugbank ID:
DB06774
(Capsaicin)


Indication:
The capsaicin 8% patch is indicated in the treatment of neuropathic pain associated with post-herpetic neuralgia. There are multiple topical capsaicin formulations available, including creams and solutions, indicated for temporary analgesia in muscle and join pain as well as neuropathic pain.

Get human targets for 4DY in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '4DY' 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.
2N27_A_4DYA205_1
(CALMODULIN)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 11
ILE A 562
MET B  87
MET B  90
VAL A 667
MET A 666
1.77A9.85
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.
2N27_A_4DYA205_1
(CALMODULIN)		6w4h NSP16
(SARS-CoV-2)		5 / 11
THR A6993
ILE A7005
LEU A6834
MET A6840
VAL A6995
1.71A21.36
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.
2N27_A_4DYA205_1
(CALMODULIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
THR A6993
ILE A7005
LEU A6834
MET A6840
VAL A6995
1.70A
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.
2N27_A_4DYA205_1
(CALMODULIN)		6w75 NSP16
(SARS-CoV-2)		5 / 11
THR A6993
ILE A7005
LEU A6834
MET A6840
VAL A6995
1.70A21.08
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.
2N27_A_4DYA205_1
(CALMODULIN)		6w75 NSP16
(SARS-CoV-2)		5 / 11
THR C6993
ILE C7005
LEU C6834
MET C6840
VAL C6995
1.73A21.08
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.
2N27_A_4DYA205_1
(CALMODULIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
THR C6993
ILE C7005
LEU C6834
MET C6840
VAL C6995
1.74A
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.
2N27_A_4DYA205_1
(CALMODULIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
THR A6993
ILE A7005
LEU A6834
MET A6840
VAL A6995
1.70A
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.
2N27_A_4DYA205_1
(CALMODULIN)		6wkq NSP16
(SARS-CoV-2)		5 / 11
THR A6993
ILE A7005
LEU A6834
MET A6840
VAL A6995
1.71A
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.
2N27_A_4DYA205_1
(CALMODULIN)		6wkq NSP16
(SARS-CoV-2)		5 / 11
THR C6993
ILE C7005
LEU C6834
MET C6840
VAL C6995
1.74A
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.
2N27_A_4DYA205_1
(CALMODULIN)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
THR A6993
ILE A7005
LEU A6834
MET A6840
VAL A6995
1.79A
None