acompound

General Compound Information
BXGC Id	BXGC0000572
Compound Name	Naphthalene
Structure
Formula	C10H8
InchiKey	UFWIBTONFRDIAS-UHFFFAOYSA-N
SMILES	C1=CC2=CC=CC=C2C=C1
Inchi	InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
IUPAC	naphthalene
Molecular Weight	128.17
Pubchem Id	931
Chembl Id	CHEMBL16293

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
P0A110	BXGT006978	Naphthalene 1,2-dioxygenase system, large oxygenase component	reviewed	ndoB	-	-	-	-	-
Q54436	BXGT015041	Tetrabrachion	unreviewed		-	-	-	-	-
B9W4V6	BXGT002359	Aromatic peroxygenase	reviewed	APO1	-	-	-	-	-

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	BXGT006841	Alpha-2A adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2A	4.57	-	-	-
reviewed	BXGT012584	Alpha-2A adrenergic receptor	reviewed		Adra2a	7.76	-	-	-
reviewed	BXGT012584	Alpha-2A adrenergic receptor	reviewed		Adra2a	9.33	-	-	-
reviewed	BXGT008379	Alpha-2B adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2B	16.98	-	-	-
reviewed	BXGT008426	Alpha-2C adrenergic receptor	reviewed	G-protein coupled receptor	ADRA2C	3.31	-	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	25000	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	25003	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	74000	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	73961	-	-

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
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	73960	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	89125	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	4466	nM
P18054	BXGT008370	Arachidonate 12-lipoxygenase, 12S-type	reviewed	Enzyme	ALOX12	Potency	'='	39810	nM
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	74000	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	89125	nM
P42574	BXGT010317	Caspase-3	reviewed	Enzyme	CASP3	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	25003	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	25000	nM
P42573	BXGT010316	Cell death protein 3	reviewed	-	ced-3	Inhibition	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	700000	nM
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	Log 1/C	'='	4	-
P10275	BXGT007552	Androgen receptor	reviewed	Nuclear receptor	AR	Potency	-	63095	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1299	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00063	Saffron	Crocus sativus	Herbs and Spices
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	Medicinal Plant
BXGF03545	Cyperus rotundus	Cyperus rotundus	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF05677	Cinnamomum philippinense	Cinnamomum philippinense	Human Edible Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	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}