Ligand ID: K1S


Drugbank ID:
DB09283
(Trapidil)


Indication:
Used to treat patients with ischemic coronary heart, liver, and kidney disease.

Get human targets for K1S in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'K1S'

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.
5QJQ_A_K1SA304_0
(ADP-SUGAR
PYROPHOSPHATASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 5
TRP D 348
GLU D 347
VAL D 328
LEU D 321
1.68A16.00
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.
5QJQ_A_K1SA304_0
(ADP-SUGAR
PYROPHOSPHATASE)		6ack ACE2
(Homo
sapiens)		4 / 5
GLU D 489
TRP D 478
VAL D 488
LEU D 267
1.66A17.93
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.
5QJQ_A_K1SA304_0
(ADP-SUGAR
PYROPHOSPHATASE)		6cs2 ACE2
(Homo
sapiens)		4 / 5
GLU D 489
TRP D 478
VAL D 488
LEU D 267
1.74A17.93
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.
5QJQ_C_K1SC304_0
(ADP-SUGAR
PYROPHOSPHATASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
TRP A6988
LEU A7004
TRP A6987
GLU A7015
1.78A20.26
None
None
8NK  A7103 (-3.5A)
None