acompound

Showing entry for Isoprene

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0003254
Compound Name	Isoprene
Structure
Formula	C5H8
InchiKey	RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES	CC(=C)C=C
Inchi	InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
IUPAC	2-methylbuta-1,3-diene
Molecular Weight	68.12
Pubchem Id	6557
Chembl Id	CHEMBL1566132

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
A0A140UHQ1	BXGT000670	Alkyl transferase	unreviewed		-	-	-	-	-

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
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	25118	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	39810	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	5	nM
P10145	BXGT007542	Interleukin-8	reviewed	Signaling	CXCL8	Potency	-	33491	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00168	Winter savory	Satureja montana	Herbs and Spices
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF01721	Humulus lupulus	Humulus lupulus	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}