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-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.
2N27_A_4DYA205_1
(CALMODULIN)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
LEU F   2
THR F  33
ILE F  26
MET E 271
VAL F  35
1.67A18.77
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)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
LEU A 153
MET A 184
LEU A  89
MET A  65
VAL A  67
1.71A21.89
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)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
LEU A 153
MET A 184
LEU A  89
MET A  65
VAL A  67
1.66A21.89
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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
THR B 282
ILE B 291
MET B 366
LEU B 262
VAL B 244
1.73A13.79
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.
2N27_A_4DYA205_1
(CALMODULIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 11
LEU A 153
MET A 184
LEU A  89
MET A  65
VAL A  67
1.77A18.02
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)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
LEU B 212
LEU B 179
VAL B 206
MET B 207
MET B 170
1.61A18.50
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
LEU C 846
THR C 760
MET B 679
MET C1011
VAL C1042
1.75A7.49
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)		6acj ACE2
(Homo
sapiens)		5 / 11
LEU D 539
LEU D 558
MET D 557
VAL D 404
MET D 408
1.75A13.79
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.
2N27_A_4DYA205_1
(CALMODULIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
LEU B 846
THR B 760
MET C 679
MET B1011
VAL B1042
1.66A8.33
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.
2N27_A_4DYA205_1
(CALMODULIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
LEU C 846
THR C 760
MET B 679
MET C1011
VAL C1042
1.78A7.38
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)		6lzg ACE2
(Homo
sapiens)		5 / 11
LEU A 539
LEU A 558
MET A 557
VAL A 404
MET A 408
1.76A13.79
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.
2N27_A_4DYA205_1
(CALMODULIN)		6m18 ACE2
(Homo
sapiens)		5 / 11
LEU D 539
LEU D 558
MET D 557
VAL D 404
MET D 408
1.76A11.11
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)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 11
LEU H  45
MET H 114
LEU H  18
MET H  83
VAL H 123
1.80A20.09
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)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 11
LEU H  18
THR H 116
ILE H  20
MET H  48
LEU H 174
1.77A
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)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 11
LEU B  18
THR B 116
ILE B  20
MET B  48
LEU B 174
1.70A
None