acompound

Showing entry for Aristololactam IIIa

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014081
Compound Name	Aristololactam IIIa
Structure
Formula	C16H9NO4
InchiKey	XCYLMCOZDQCDRH-UHFFFAOYSA-N
SMILES	Oc1ccc2c(c1)c1c3OCOc3cc3c1c(c2)N=C3O
Inchi	InChI=1S/C16H9NO4/c18-8-2-1-7-3-11-13-10(16(19)17-11)5-12-15(21-6-20-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,17,19)
IUPAC
Molecular Weight	279.05
Pubchem Id	5319620
Chembl Id	CHEMBL607579

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

n.a

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

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	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	-	2150	-	-

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
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	IC50	'='	2150	nM
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01907	Aristolochia contorta	Aristolochia contorta	Medicinal Plant
BXGF03913	Aristolochia debilis	Aristolochia debilis	Medicinal Plant
BXGF05081	Agastache rugosus	Agastache rugosus	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}