acompound

Showing entry for 2,6-Ditert-Butylphenol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038768
Compound Name	2,6-Ditert-Butylphenol
Structure
Formula	C14H22O
InchiKey	DKCPKDPYUFEZCP-UHFFFAOYSA-N
SMILES	CC(c1cccc(c1O)C(C)(C)C)(C)C
Inchi	InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
IUPAC	2,6-ditert-butylphenol
Molecular Weight	206.17
Pubchem Id	31405
Chembl Id	CHEMBL281071

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	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	274500	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	510	-	-	-
reviewed	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	-	-	-	100000000

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
P18507	BXGT008411	Gamma-aminobutyric acid receptor subunit gamma-2	reviewed	Ion channel	GABRG2	EC50	'='	100000000	nM
P47870	BXGT010591	Gamma-aminobutyric acid receptor subunit beta-2	reviewed	Ion channel	GABRB2	EC50	'='	100000000	nM
P14867	BXGT008061	Gamma-aminobutyric acid receptor subunit alpha-1	reviewed	Ion channel	GABRA1	EC50	'='	100000000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	274500	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	510	nM
Q91XP5	BXGT026129	Glycine receptor subunit alpha-3	reviewed	-	Glra3	Activity	'='	54	%
Q91XP5	BXGT026129	Glycine receptor subunit alpha-3	reviewed	-	Glra3	Activity	'='	23	%
P48167	BXGT010621	Glycine receptor subunit beta	reviewed	Ion channel	GLRB	pEC50	-	-	-
O75311	BXGT005109	Glycine receptor subunit alpha-3	reviewed	Ion channel	GLRA3	pEC50	-	-	-
P48167	BXGT010621	Glycine receptor subunit beta	reviewed	Ion channel	GLRB	Activity	'='	309	%
O75311	BXGT005109	Glycine receptor subunit alpha-3	reviewed	Ion channel	GLRA3	Activity	'='	309	%
P48167	BXGT010621	Glycine receptor subunit beta	reviewed	Ion channel	GLRB	Activity	'='	116	%
O75311	BXGT005109	Glycine receptor subunit alpha-3	reviewed	Ion channel	GLRA3	Activity	'='	116	%
P48167	BXGT010621	Glycine receptor subunit beta	reviewed	Ion channel	GLRB	Activity	'='	134	%
O75311	BXGT005109	Glycine receptor subunit alpha-3	reviewed	Ion channel	GLRA3	Activity	'='	134	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04982	Ligusticum chuanxiong	Ligusticum chuanxiong	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}