Ligand ID: CLS


Drugbank ID:
DB00456
(Cefalotin)


Indication:
Used to prevent infection during surgery and to treat many kinds of infections of the blood, bone or joints, respiratory tract, skin, and urinary tract.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CLS' 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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 10
GLY B  32
LEU B  64
ASN B  60
THR B  42
GLY B  28
1.70A21.29
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.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PRO A 507
GLY A 496
ASN A 501
TYR A 453
ARG A 509
1.79A22.27
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.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
PRO E 507
GLY E 496
ASN E 501
TYR E 453
ARG E 509
1.76A22.27
None