acompound

Showing entry for Domoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043703
Compound Name	Domoic Acid
Structure
Formula	C15H21NO6
InchiKey	VZFRNCSOCOPNDB-AOKDLOFSSA-N
SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C\C=C\[C@H](C(=O)O)C)/C
Inchi	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
IUPAC	(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Molecular Weight	311.14
Pubchem Id	5282253
Chembl Id	CHEMBL1232313

Targets of Information Source

DrugBank

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
Q13002	BXGT013303	Glutamate receptor ionotropic, kainate 2	reviewed	Ion channel	GRIK2	experimental	-

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
P42260	BXGT010292	Glutamate receptor ionotropic, kainate 2	reviewed	Grik2	-	-	-	-	-
P22756	BXGT008804	Glutamate receptor ionotropic, kainate 1	reviewed	Grik1	-	5.56	-	-	-

Binding DB

n.a

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

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
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	6513	nM
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	50118	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	56234	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	14125	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	89125	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-14	%
Q13526	BXGT013369	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	reviewed	-	PIN1	Potency	-	22387	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	79432	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	70794	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	70794	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	17740	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	23109	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	16360	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	891	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	35481	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	35481	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	2	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01333	Leontice robustum	Leontice robustum	Medicinal Plant
BXGF03359	Amomum melegueta	Amomum melegueta	Medicinal Plant
BXGF04471	Otholobium glandulosum	Otholobium glandulosum	Medicinal Plant
BXGF04483	Terminalia brachystemma	Terminalia brachystemma	Others
BXGF04494	Raoulia australis	Raoulia australis	Others
BXGF04507	Anacyclus monanthos	Anacyclus monanthos	Others
BXGF04516	Ulmus campestris	Ulmus campestris	Medicinal Plant
BXGF04554	Corydalis tashiroi	Corydalis tashiroi	Others
BXGF04562	Senecio chionophilus	Senecio chionophilus	Others
BXGF04592	Prunus speciosa	Prunus speciosa	Others
BXGF04612	Mikania cordifolia	Mikania cordifolia	Medicinal Plant
BXGF04619	Hakea trifurcata	Hakea trifurcata	Others
BXGF04624	Astragalus siculus	Astragalus siculus	Others
BXGF04652	Guizotia scabra	Guizotia scabra	Medicinal Plant
BXGF04669	Euphorbia cuneata	Euphorbia cuneata	Medicinal Plant
BXGF04672	Arum palaestinum	Arum palaestinum	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}