Ligand ID: CQL


Drugbank ID:
DB04815
(Clioquinol)


Indication:
Used as a topical antifungal treatment.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CQL' 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.
3KCX_A_CQLA1_0
(HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR)		1x7q HLA, A-11
(Homo
sapiens)		5 / 10
TYR A  84
LEU A  81
THR A 143
ILE A  97
ILE A 124
1.79A19.29
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.
3KCX_A_CQLA1_0
(HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
TYR A 152
LEU A 153
ILE A 128
HIS A  69
ILE A  68
1.49A19.19
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.
3KCX_A_CQLA1_0
(HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
TYR A 152
LEU A 153
ILE A 128
HIS A  69
ILE A  68
1.48A19.77
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.
3KCX_A_CQLA1_0
(HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
TYR A 152
LEU A 153
ILE A 128
HIS A  69
ILE A  68
1.51A20.38
None