acompound

Showing entry for 3-Hydroxybenzoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004710
Compound Name	3-Hydroxybenzoic acid
Structure
Formula	C7H6O3
InchiKey	IJFXRHURBJZNAO-UHFFFAOYSA-N
SMILES	OC(=O)C1=CC(O)=CC=C1
Inchi	InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
IUPAC	3-hydroxybenzoic acid
Molecular Weight	138.12
Pubchem Id	7420
Chembl Id	CHEMBL65369

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
Q6SSJ6	BXGT016525	3-hydroxybenzoate 4-monooxygenase	reviewed	mobA	-	-	-	-	-
P00437	BXGT005537	Protocatechuate 3,4-dioxygenase beta chain	reviewed	pcaH	-	4000000	-	-	-
P24627	BXGT008981	Lactotransferrin	reviewed	LTF	-	-	-	-	-
Q0SFK6	BXGT013169	Probable salicylate monooxygenase	unreviewed	RHA1_ro01869	-	-	-	-	-
Q5LSJ5	BXGT015556	Solute-binding protein SPO1773	reviewed	dctP	-	-	-	-	-
Q7VS30	BXGT017162	Putative leu/ile/val-binding protein	unreviewed	BP0622	-	-	-	-	-
O30478	BXGT004378	3-hydroxybenzoate synthase	reviewed		-	-	-	-	-
Q43992	BXGT014599	p-hydroxybenzoate hydroxylase transcriptional activator	reviewed	pobR	-	-	-	-	-
Q9RXE3	BXGT025057	Chorismate dehydratase	unreviewed	mqnA	-	-	-	-	-
A0A022MQ12	BXGT025566	Amidohydrolase	unreviewed	natAM	-	-	-	-	-

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	BXGT008271	Prolyl 4-hydroxylase subunit alpha-1	reviewed		P4HA1	>20000000	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	2370	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	600	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	4530	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	3530	-	-	-
reviewed	BXGT008844	Carbonic anhydrase 6	reviewed		CA6	3170	-	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	>100000	-	-
reviewed	BXGT020165	Hydroxycarboxylic acid receptor 1	reviewed	G-protein coupled receptor	HCAR1	-	-	-	184000
reviewed	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed		HCAR2	-	-	-	215000

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
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	4530	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	600	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	2370	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	3530	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Activity	'>'	100	uM
Q9BXC0	BXGT020165	Hydroxycarboxylic acid receptor 1	reviewed	G-protein coupled receptor	HCAR1	EC50	'='	184000	nM
Q8TDS4	BXGT018812	Hydroxycarboxylic acid receptor 2	reviewed	-	HCAR2	EC50	'='	215000	nM
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	Inhibition	'='	0	%
P23280	BXGT008844	Carbonic anhydrase 6	reviewed	-	CA6	Ki	'='	3170	nM
Q2PCB5	BXGT014154	Carbonic anhydrase	unreviewed	-	ca	Ki	'='	98300	nM
P48281	BXGT010625	Vitamin D3 receptor	reviewed	-	Vdr	FC	'='	1	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00248	Beer		Beverages
BXGF00811	Citrus		Fruits
BXGF01109	Styrax benzoin	Styrax benzoin	Medicinal Plant
BXGF01487	Styrax tonkinensis	Styrax tonkinensis	Medicinal Plant
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF02496	Pleione bulbocodioides	Pleione bulbocodioides	Others
BXGF04963	Equisetum hiemale	Equisetum hiemale	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}