acompound

Showing entry for 2-Methylbenzenesulfonimidic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040525
Compound Name	2-Methylbenzenesulfonimidic Acid
Structure
Formula	C7H9NO2S
InchiKey	YCMLQMDWSXFTIF-UHFFFAOYSA-N
SMILES	Cc1ccccc1S(=O)(=O)N
Inchi	InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
IUPAC	2-methylbenzenesulfonimidic acid
Molecular Weight	171.04
Pubchem Id	6924
Chembl Id	CHEMBL176892

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

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
Q6B0I6	BXGT016211	Lysine-specific demethylase 4D	reviewed	KDM4D	Epigenetic regulator	-	-	-	-

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	BXGT005691	Carbonic anhydrase 2	reviewed		CA2	-	-	2180	-

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
Q3SZX4	BXGT014517	Carbonic anhydrase 3	reviewed	-	CA3	Log II50	'='	0	-
P18915	BXGT008444	Carbonic anhydrase 6	reviewed	-	CA6	Log II50	'='	0	-
Q95323	BXGT019579	Carbonic anhydrase 4	reviewed	-	CA4	Log II50	'='	0	-
P00921	BXGT005691	Carbonic anhydrase 2	reviewed	-	CA2	Log II50	'='	0	-
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Inhibition	'<='	54	%
P05067	BXGT006306	Amyloid-beta precursor protein	reviewed	Enzyme modulator	APP	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices

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}