acompound

Showing entry for 4-Aminobenzoic acid

General Compound Information
BXGC Id	BXGC0000642
Compound Name	4-Aminobenzoic acid
Structure
Formula	C7H7NO2
InchiKey	ALYNCZNDIQEVRV-UHFFFAOYSA-N
SMILES	NC1=CC=C(C=C1)C(O)=O
Inchi	InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
IUPAC	4-aminobenzoic acid
Molecular Weight	137.14
Pubchem Id	978
Chembl Id	CHEMBL542

Targets of Information Source

DrugBank

DB02362

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
P00438	BXGT005538	p-hydroxybenzoate hydroxylase	reviewed	-	pobA	approved; experimental	-
P20586	BXGT008584	p-hydroxybenzoate hydroxylase	reviewed	-	pobA	approved; experimental	substrate

PDB

PAB

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
P20586	BXGT008584	p-hydroxybenzoate hydroxylase	reviewed	pobA	-	-	-	-	-
P20586	BXGT008584	p-hydroxybenzoate hydroxylase	reviewed	pobA	-	-	-	24000	-
P20586	BXGT008584	p-hydroxybenzoate hydroxylase	reviewed	pobA	-	-	-	147000	-
P00438	BXGT005538	p-hydroxybenzoate hydroxylase	reviewed	pobA	-	-	-	-	-
Q5SLV2	BXGT015822	Dihydropteroate synthase	unreviewed	TTHA0191	-	-	-	-	-
Q00456	BXGT012520	Toluene-4-monooxygenase system, hydroxylase component subunit alpha	reviewed	tmoA	-	-	-	-	-
A0A384KP04	BXGT000806	Dihydropteroate synthase	unreviewed	dhpS	-	-	-	-	-
A5JZS1	BXGT001331	Hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative	unreviewed	PVX_123230	-	-	-	-	-
D2UDM3	BXGT002853	Dihydropteroate synthase	unreviewed	folP	-	-	-	-	-

Binding DB

50145829

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	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	-	>1000000	-	-
reviewed	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	-	>1000000	-	-
reviewed	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	-	>120000	-	-
reviewed	BXGT009967	Acetylcholinesterase	reviewed		Ache	-	35.2	-	-
reviewed	BXGT010864	Thiopurine S-methyltransferase	reviewed		TPMT	-	2884031.5	-	-

CHEMBL

CHEMBL542

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
Q81VW8	BXGT017373	Dihydropteroate synthase	unreviewed	-	folP	Kd	'='	5620	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	316	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	85	%
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	2818	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	125	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	100000	nM
A3EZI9	BXGT001153	Genome polyprotein	unreviewed	-	NS3	Kd	'>'	40000	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	28183	nM
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	44668	nM
P80404	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	IC50	'>'	1000000	nM
P11308	BXGT007684	Transcriptional regulator ERG	reviewed	Transcription factor	ERG	Potency	-	5623	nM
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	Inhibition	'='	0	%
P51580	BXGT010864	Thiopurine S-methyltransferase	reviewed	-	TPMT	IC50	'='	2884031	nM
P37136	BXGT009967	Acetylcholinesterase	reviewed	-	Ache	IC50	'='	35	nM
P51649	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	IC50	'>'	1000000	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	IC50	-	-	-
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	130	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	88	%
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	IC50	'>'	120000	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Activity	'='	100	%
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Activity	'='	75	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00012	Pineapple	Ananas comosus	Fruits
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF02134	Onobrychis bobrovii	Onobrychis bobrovii	Others
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	Medicinal Plant
BXGF03932	Trifolium strepens	Trifolium strepens	Others
BXGF04363	Petteria ramentacea	Petteria ramentacea	Others
BXGF05174	Medinilla magnifica	Medinilla magnifica	Medicinal Plant
BXGF05272	Laggera alata	Laggera alata	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05349	Helipterum gnaphaloides	Helipterum gnaphaloides	Others
BXGF05369	Daemonorops draco	Daemonorops draco	Medicinal Plant
BXGF05486	Papaver persicum	Papaver persicum	Medicinal Plant
BXGF05562	Garrya laurifolia	Garrya laurifolia	Others
BXGF05602	Sequoia sempervirens	Sequoia sempervirens	Medicinal Plant
BXGF05726	Mesua ferrea	Mesua ferrea	Medicinal Plant
BXGF05813	Goupia glabra	Goupia glabra	Others
BXGF05938	Excoecaria acerifolia	Excoecaria acerifolia	Medicinal Plant
BXGF05985	Senecio cathcartensis	Senecio cathcartensis	Others
BXGF06078	Monopteryx uaucu	Monopteryx uaucu	Human Edible 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}