Ligand ID: 2PM


Drugbank ID:
DB01075
(Diphenhydramine)


Indication:
For the treatment of symptoms associated with Vertigo/Meniere's disease, nausea and vomiting, motion sickness and insect bite.

Get human targets for 2PM in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '2PM' 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.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE A 952
TYR B 738
GLN C 984
TYR A 723
PHE B 741
1.65A12.97
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.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE B 952
TYR A 738
GLN C 984
TYR B 723
PHE A 741
1.78A13.22
PHE  B 952 ( 1.3A)
TYR  A 738 ( 1.3A)
GLN  C 984 ( 0.6A)
TYR  B 723 ( 1.3A)
PHE  A 741 ( 1.3A)
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.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE B 952
TYR A 738
GLN C 984
TYR B 723
PHE A 741
1.62A13.22
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.
2AOT_B_2PMB401_1
(HISTAMINE
N-METHYLTRANSFERASE)		6nur NSP12
(SARSr-CoV)		5 / 12
PHE A 219
GLN A 210
TYR A 237
TYR A 289
PHE A 222
1.79A14.75
None