acompound

Showing entry for Cellulase

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000661
Compound Name	Cellulase
Structure
Formula	C9H21O2PS3
InchiKey	XLNZEKHULJKQBA-UHFFFAOYSA-N
SMILES	CCOP(=S)(OCC)SCSC(C)(C)C
Inchi	InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
IUPAC	O,O-diethyl {[(tert-butylsulfanyl)methyl]sulfanyl}phosphonothioate
Molecular Weight	288.42
Pubchem Id	25670
Chembl Id	CHEMBL1406292

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

n.a

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

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	25118	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	1	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	39810	nM
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	Nuclear receptor	RORC	Potency	-	26603	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	31622	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	25118	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	28183	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products

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}