acompound

Showing entry for 4-Azaniumylbenzenesulfonate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0013304
Compound Name	4-Azaniumylbenzenesulfonate
Structure
Formula	C6H7NO3S
InchiKey	HVBSAKJJOYLTQU-UHFFFAOYSA-N
SMILES	Nc1ccc(cc1)S(=O)(=O)O
Inchi	InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
IUPAC	4-azaniumylbenzenesulfonate
Molecular Weight	173.01
Pubchem Id	8479
Chembl Id	CHEMBL1566888

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	BXGT008668	5'-nucleotidase	reviewed		Nt5e	-	70100	-	-
reviewed	BXGT008669	5'-nucleotidase	reviewed	Enzyme	NT5E	-	8200	-	-

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
P21589	BXGT008669	5'-nucleotidase	reviewed	Enzyme	NT5E	IC50	'='	8200	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	31622	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	15848	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	22387	nM
P21588	BXGT008668	5'-nucleotidase	reviewed	-	Nt5e	IC50	'='	70100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02317	Krameria parvifolia	Krameria parvifolia	Others
BXGF02372	Aesculus turbinata	Aesculus turbinata	Medicinal Plant
BXGF02390	Argyreia speciosa	Argyreia speciosa	Medicinal Plant
BXGF02465	Vernonia profuga	Vernonia profuga	Others
BXGF02578	Artocarpus styracifolius	Artocarpus styracifolius	Human Edible Plant
BXGF02779	Swertia chinensis	Swertia chinensis	Medicinal Plant
BXGF02821	Forsythia giraldiana	Forsythia giraldiana	Others
BXGF02892	Dorstenia mannii	Dorstenia mannii	Medicinal Plant
BXGF03560	Alnus alnobetula	Alnus alnobetula	Others
BXGF04238	Capsella bursa-pastoris	Capsella bursa-pastoris	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	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}