acompound

Showing entry for Canavanine

General Compound Information
BXGC Id	BXGC0048267
Compound Name	Canavanine
Structure
Formula	C5H12N4O3
InchiKey	FSBIGDSBMBYOPN-VKHMYHEASA-N
SMILES	NC(=N)NOCC[C@@H](C(=O)O)N
Inchi	InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
IUPAC	(2S)-2-azaniumyl-4-(diaminomethylideneamino)oxybutanoate
Molecular Weight	176.09
Pubchem Id	439202
Chembl Id	CHEMBL443732

Targets of Information Source

DrugBank

DB01833

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
P29474	BXGT009352	Nitric oxide synthase, endothelial	reviewed	-	NOS3	experimental	-

PDB

GGB

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
P9WPY9	BXGT012480	Arginine repressor	reviewed	argR	-	-	-	-	-
O00255	BXGT003903	Menin	reviewed	MEN1	-	-	-	-	-
O75475	BXGT005130	PC4 and SFRS1-interacting protein	reviewed	PSIP1	Signaling	-	-	-	-
G9MBV2	BXGT003568	Alpha-Ketoglutarate-dependent L-arginine hydroxylase	unreviewed	vioC	-	-	-	-	-
P54136	BXGT011033	Arginine--tRNA ligase, cytoplasmic	reviewed	RARS1	-	-	-	-	-
P11838	BXGT007752	Endothiapepsin	reviewed	EAPA	-	-	-	-	-
P25321	BXGT009037	cAMP-dependent protein kinase catalytic subunit alpha	reviewed	PRKACA	-	-	-	-	-
P28720	BXGT009288	Queuine tRNA-ribosyltransferase	reviewed	tgt	-	-	-	-	-
P32021	BXGT009596	2-oxoglutarate-dependent ethylene/succinate-forming enzyme	reviewed	efe	-	-	-	-	-
P29473	BXGT009351	Nitric oxide synthase, endothelial	reviewed	NOS3	-	-	-	-	-

Binding DB

50271982

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	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	60000	-	-
reviewed	BXGT009800	Nitric oxide synthase, inducible	reviewed		NOS2	220000	-	-	-
reviewed	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	60000	-	-

CHEMBL

CHEMBL443732

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
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	39810	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	39810	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	9466	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	15848	nM
P35228	BXGT009800	Nitric oxide synthase, inducible	reviewed	-	NOS2	Ki	'='	220000	nM
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'='	60000	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	1584	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	1995	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	3981	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Potency	'='	31	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	'='	15848	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	31622	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	6	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	3548	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	91	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	101	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03908	Hedysarum multijugum maxim	Hedysarum multijugum maxim	Others
BXGF04528	Achillea moschata	Achillea moschata	Others
BXGF05296	Canavalia gladiata	Canavalia gladiata	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}