acompound

Showing entry for Indole-3-Carbonitrile

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030544
Compound Name	Indole-3-Carbonitrile
Structure
Formula	C9H6N2
InchiKey	CHIFTAQVXHNVRW-UHFFFAOYSA-N
SMILES	N#Cc1c[nH]c2c1cccc2
Inchi	InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
IUPAC	1H-indole-3-carbonitrile
Molecular Weight	142.05
Pubchem Id	230282
Chembl Id	CHEMBL46724

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	BXGT007783	Inosine-5'-monophosphate dehydrogenase 2	reviewed	Enzyme	IMPDH2	-	20900	-	-
reviewed	BXGT008608	Inosine-5'-monophosphate dehydrogenase 1	reviewed	Enzyme	IMPDH1	-	32000	-	-
reviewed	BXGT010663	Tryptophan 2,3-dioxygenase	reviewed		Tdo2	-	>80000	-	-

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
P12268	BXGT007783	Inosine-5'-monophosphate dehydrogenase 2	reviewed	Enzyme	IMPDH2	IC50	'='	20900	nM
P12268	BXGT007783	Inosine-5'-monophosphate dehydrogenase 2	reviewed	Enzyme	IMPDH2	IC50	'='	32000	nM
P20839	BXGT008608	Inosine-5'-monophosphate dehydrogenase 1	reviewed	Enzyme	IMPDH1	IC50	'='	32000	nM
P48776	BXGT010663	Tryptophan 2,3-dioxygenase	reviewed	-	Tdo2	IC50	'>'	80000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00039	Capers	Capparis spinosa	Herbs and Spices

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}