Ligand ID: DCK


Drugbank ID:
DB00583
(L-Carnitine)


Indication:
For treatment of primary systemic carnitine deficiency, a genetic impairment of normal biosynthesis or utilization of levocarnitine from dietary sources, or for the treatment of secondary carnitine deficiency resulting from an inborn error of metabolism such as glutaric aciduria II, methyl malonic aciduria, propionic acidemia, and medium chain fatty acylCoA dehydrogenase deficiency. Used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. Parenteral levocarnitine is indicated for the prevention and treatment of carnitine deficiency in patients with end-stage renal disease.

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

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

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.
3PPO_A_DCKA401_0
(GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN)		1x7q HLA, A-11
NUCLEOCAPSID PEPTIDE
(Homo
sapiens)		5 / 9
ASN A  66
THR C   2
TYR A  99
TYR A   9
TYR A   7
1.69A20.85
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.
3PPO_A_DCKA401_0
(GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 9
GLN D  65
ASN D  63
TYR D  64
THR C  12
TYR C  30
1.49A20.34
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.
3PPO_A_DCKA401_0
(GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN)		5x5c S PROTEIN
(MERS-CoV)		5 / 9
ASN B1177
TYR B1171
THR B1178
ASN B1163
TYR B1192
1.67A12.45
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.
3PPO_A_DCKA401_0
(GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ASN C 457
TYR C 338
ASN C 409
TYR C 442
TYR C 440
1.72A13.17
None