acompound

Showing entry for Citrulline

General Compound Information
BXGC Id	BXGC0014919
Compound Name	Citrulline
Structure
Formula	C6H13N3O3
InchiKey	RHGKLRLOHDJJDR-BYPYZUCNSA-N
SMILES	OC(=N)NCCC[C@@H](C(=O)O)N
Inchi	InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
IUPAC	(2S)-2-azaniumyl-5-(carbamoylamino)pentanoate
Molecular Weight	175.1
Pubchem Id	9750
Chembl Id	CHEMBL444814

Targets of Information Source

DrugBank

DB00155

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
P00966	BXGT005707	Argininosuccinate synthase	reviewed	Enzyme	ASS1	approved; investigational; nutraceutical	-
O95865	BXGT005404	N(G),N(G)-dimethylarginine dimethylaminohydrolase 2	reviewed	Enzyme	DDAH2	approved; investigational; nutraceutical	-
Q5T6L4	BXGT015848	Argininosuccinate synthase 1 isoform 1	unreviewed	-	ASS	approved; investigational; nutraceutical	-
O94760	BXGT005328	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	reviewed	Enzyme	DDAH1	approved; investigational; nutraceutical	-
P00480	BXGT005551	Ornithine carbamoyltransferase, mitochondrial	reviewed	-	OTC	approved; investigational; nutraceutical	-
P29475	BXGT009353	Nitric oxide synthase, brain	reviewed	-	NOS1	approved; investigational; nutraceutical	-
P35228	BXGT009800	Nitric oxide synthase, inducible	reviewed	-	NOS2	approved; investigational; nutraceutical	-
P29474	BXGT009352	Nitric oxide synthase, endothelial	reviewed	-	NOS3	approved; investigational; nutraceutical	-
Q6TGC4	BXGT016544	Protein-arginine deiminase type-6	reviewed	-	PADI6	approved; investigational; nutraceutical	product of
Q9ULC6	BXGT021759	Protein-arginine deiminase type-1	reviewed	-	PADI1	approved; investigational; nutraceutical	-
Q9ULW8	BXGT021768	Protein-arginine deiminase type-3	reviewed	-	PADI3	approved; investigational; nutraceutical	-
Q9Y2J8	BXGT022237	Protein-arginine deiminase type-2	reviewed	-	PADI2	approved; investigational; nutraceutical	-
Q9UM07	BXGT021771	Protein-arginine deiminase type-4	reviewed	-	PADI4	approved; investigational; nutraceutical	-

PDB

CIR

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
Q9I4E3	BXGT020732	N(G),N(G)-dimethylarginine dimethylaminohydrolase	reviewed	PA1195	-	-	-	-	-
P59846	BXGT011280	Argininosuccinate synthase	reviewed	argG	-	-	-	-	-
P0A6E4	BXGT007049	Argininosuccinate synthase	reviewed	argG	-	-	-	-	-
P23793	BXGT008907	Arginine deiminase	reviewed	arcA	-	-	-	-	-
P56965	BXGT011207	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	reviewed	DDAH1	-	-	-	-	-
O94760	BXGT005328	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	reviewed	DDAH1	Enzyme	-	-	-	-
P00966	BXGT005707	Argininosuccinate synthase	reviewed	ASS1	Enzyme	-	-	-	-
P51541	BXGT010853	Arginine kinase	reviewed		-	-	-	-	-
Q8DCF5	BXGT017964	Ornithine carbamoyltransferase	reviewed	argF	-	-	-	-	-
P06733	BXGT006490	Alpha-enolase	reviewed	ENO1	Enzyme	-	-	-	-
P02458	BXGT005879	Collagen alpha-1(II) chain	reviewed	COL2A1	-	-	-	-	-
P08670	BXGT006810	Vimentin	reviewed	VIM	-	-	-	-	-
P02675	BXGT005916	Fibrinogen beta chain	reviewed	FGB	Signaling	-	-	-	-
P49913	BXGT010761	Cathelicidin antimicrobial peptide	reviewed	CAMP	-	-	-	-	-
Q8N257	BXGT018500	Histone H2B type 3-B	reviewed	H2BU1	-	-	-	-	-

Binding DB

92903

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	BXGT005328	N(G),N(G)-dimethylarginine dimethylaminohydrolase 1	reviewed	Enzyme	DDAH1	3700000	-	-	-
reviewed	BXGT009354	Nitric oxide synthase, brain	reviewed		Nos1	>1000000	-	-	-

CHEMBL

CHEMBL444814

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
P19145	BXGT008463	General amino-acid permease GAP1	reviewed	-	GAP1	Activity	-	-	-
P19145	BXGT008463	General amino-acid permease GAP1	reviewed	-	GAP1	Inhibition	-	-	-
P19145	BXGT008463	General amino-acid permease GAP1	reviewed	-	GAP1	Km	'='	37000	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	135	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	119	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF01333	Leontice robustum	Leontice robustum	Medicinal Plant
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	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
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	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}