acompound

Showing entry for Phenanthrene

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053486
Compound Name	Phenanthrene
Structure
Formula	C14H10
InchiKey	YNPNZTXNASCQKK-UHFFFAOYSA-N
SMILES	c1ccc2c(c1)c1ccccc1cc2
Inchi	InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
IUPAC	phenanthrene
Molecular Weight	178.08
Pubchem Id	995
Chembl Id	CHEMBL46730

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
P0A111	BXGT006979	Naphthalene 1,2-dioxygenase system, large oxygenase component	reviewed	doxB	-	-	-	-	-

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	97000	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	97051	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	26000	-	-
reviewed	BXGT008610	Cytochrome P450 2A5	reviewed		Cyp2a5	-	26002	-	-

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
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	1000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	1995	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	97051	nM
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	Potency	-	56234	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	97000	nM
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	26000	nM
P20852	BXGT008610	Cytochrome P450 2A5	reviewed	-	Cyp2a5	IC50	'='	26001	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	28183	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	39810	nM
P19793	BXGT008515	Retinoic acid receptor RXR-alpha	reviewed	Nuclear receptor	RXRA	Potency	-	50118	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	39810	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	74978	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	35481	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	79432	nM
P10145	BXGT007542	Interleukin-8	reviewed	Signaling	CXCL8	Potency	-	74978	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00997	Bletilla striata	Bletilla striata	Medicinal Plant
BXGF01008	Peganum harmala	Peganum harmala	Medicinal Plant
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02939	Saxifraga stolonifera	Saxifraga stolonifera	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF05322	Trichosanthes rosthornii	Trichosanthes rosthornii	Medicinal Plant
BXGF05651	Humulus scandens	Humulus scandens	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}