acompound

Showing entry for Bis(4-Hydroxybenzyl)Sulfide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036738
Compound Name	Bis(4-Hydroxybenzyl)Sulfide
Structure
Formula	C14H14O2S
InchiKey	OEISQDWSEZCYNH-UHFFFAOYSA-N
SMILES	Oc1ccc(cc1)CSCc1ccc(cc1)O
Inchi	InChI=1S/C14H14O2S/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8,15-16H,9-10H2
IUPAC	4-[(4-hydroxyphenyl)methylsulfanylmethyl]phenol
Molecular Weight	246.07
Pubchem Id	23651847
Chembl Id	CHEMBL224380

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	BXGT009437	Adenosine receptor A2a	reviewed		Adora2a	24100	-	-	-
reviewed	BXGT009437	Adenosine receptor A2a	reviewed		Adora2a	-	42900	-	-

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
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	Ki	'='	24100	nM
P30543	BXGT009437	Adenosine receptor A2a	reviewed	-	Adora2a	IC50	'='	42900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03444	Gastrodia elata	Gastrodia elata	Medicinal Plant

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}