Ligand ID: 212


Drugbank ID:
DB00630
(Alendronic acid)


Indication:
For the treatment and prevention of osteoporosis in women and Paget's disease of bone in both men and women.

Get human targets for 212 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '212'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
5DZ2_A_212A404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 9
VAL A 152
ASN A  70
GLU C   2
ARG A  97
TYR A  74
1.66A20.63
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.
5DZ2_A_212A404_1
(GERMACRADIENOL/GEOSM
IN SYNTHASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
VAL B 227
ASP B 228
ASN A 394
GLU A 516
TYR A 396
1.71A13.17
None