acompound

Showing entry for beta-1-C-ethyl-1-deoxymannojirimycin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035886
Compound Name	beta-1-C-ethyl-1-deoxymannojirimycin
Structure
Formula	C8H17NO4
InchiKey	AFRPVDHJWCJLNM-SLBCVNJHSA-N
SMILES	CC[C@@H]1N[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O
Inchi	InChI=1S/C8H17NO4/c1-2-4-6(11)8(13)7(12)5(3-10)9-4/h4-13H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1
IUPAC	(2S,3R,4R,5R,6R)-2-ethyl-6-(hydroxymethyl)piperidine-3,4,5-triol
Molecular Weight	191.12
Pubchem Id	14446759
Chembl Id	CHEMBL376799

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT006142	Tissue alpha-L-fucosidase	reviewed		FUCA1	-	83000	-	-
reviewed	BXGT015223	Beta-galactosidase	reviewed		GLB1	-	86000	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
Q5DUH8	BXGT015324	Alpha-galactosidase	unreviewed	-	gal1	Inhibition	'<'	50	%
Q58D55	BXGT015223	Beta-galactosidase	reviewed	-	GLB1	IC50	'='	86000	nM
A4XI97	BXGT001271	Beta-galactosidase	unreviewed	-	Csac_1018	IC50	'='	51000	nM
P04066	BXGT006142	Tissue alpha-L-fucosidase	reviewed	-	FUCA1	IC50	'='	83000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05802	Scilla socialis	Scilla socialis	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}