acompound

Showing entry for Isoindigo

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018921
Compound Name	Isoindigo
Structure
Formula	C16H10N2O2
InchiKey	MLCPSWPIYHDOKG-BUHFOSPRSA-N
SMILES	OC1=Nc2c(/C/1=C/1\C(=Nc3c1cccc3)O)cccc2
Inchi	InChI=1S/C16H10N2O2/c19-15-13(9-5-1-3-7-11(9)17-15)14-10-6-2-4-8-12(10)18-16(14)20/h1-8H,(H,17,19)(H,18,20)/b14-13+
IUPAC	(3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one
Molecular Weight	262.07
Pubchem Id
Chembl Id	CHEMBL515155

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	BXGT008715	Protein-glutamine gamma-glutamyltransferase 2	reviewed	Enzyme	TGM2	41000	-	-	-
reviewed	BXGT008715	Protein-glutamine gamma-glutamyltransferase 2	reviewed	Enzyme	TGM2	-	8000	-	-

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
P21980	BXGT008715	Protein-glutamine gamma-glutamyltransferase 2	reviewed	Enzyme	TGM2	Ki	'='	41000	nM
P78396	BXGT011842	Cyclin-A1	reviewed	Enzyme modulator	CCNA1	Inhibition	-	-	-
P20248	BXGT008554	Cyclin-A2	reviewed	Enzyme modulator	CCNA2	Inhibition	-	-	-
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Inhibition	-	-	-
Q64669	BXGT016128	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	Nqo1	Ratio	'='	2	-
P00184	BXGT005483	Cytochrome P450 1A1	reviewed	-	Cyp1a1	Ratio	'='	1	-
P21980	BXGT008715	Protein-glutamine gamma-glutamyltransferase 2	reviewed	Enzyme	TGM2	IC50	'='	8000	nM
Q64669	BXGT016128	NAD(P)H dehydrogenase [quinone] 1	reviewed	-	Nqo1	Ratio	'='	0	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03865	Hansenia forbesii	Hansenia forbesii	Others
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05301	Baphicacanthus cusia	Baphicacanthus cusia	Medicinal Plant
BXGF06027	Angelica taiwaniana	Angelica taiwaniana	Medicinal Plant
BXGF06143	Persicaria tinctoria	Persicaria tinctoria	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}