acompound

Showing entry for 1H-Indole-3-acetonitrile

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000864
Compound Name	1H-Indole-3-acetonitrile
Structure
Formula	C10H8N2
InchiKey	DMCPFOBLJMLSNX-UHFFFAOYSA-N
SMILES	N#CCC1=CNC2=C1C=CC=C2
Inchi	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
IUPAC	2-(1H-indol-3-yl)acetonitrile
Molecular Weight	156.18
Pubchem Id	351795
Chembl Id	CHEMBL1812654

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
P0A881	BXGT007140	Trp operon repressor	reviewed	trpR	-	-	-	-	-

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	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
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
BXGF00002	Savoy cabbage	Brassica oleracea var. sabauda	Vegetables
BXGF00031	Cauliflower	Brassica oleracea var. botrytis	Vegetables
BXGF00032	Brussel sprouts	Brassica oleracea var. gemmifera	Vegetables
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00034	Broccoli	Brassica oleracea var. italica	Vegetables
BXGF00035	Chinese cabbage	Brassica rapa	Vegetables
BXGF00073	Japanese persimmon	Diospyros kaki	Fruits
BXGF00153	Radish	Raphanus sativus	Vegetables
BXGF00173	Garden tomato (var.)	Solanum lycopersicum var. lycopersicum	Vegetables
BXGF00199	Gram bean	Vigna mungo	Pulses
BXGF00338	Grape	Vitis	Fruits
BXGF00346	Horseradish tree	Moringa oleifera	Vegetables
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00809	Brassicas		Vegetables
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF01087	Impatiens balsamina	Impatiens balsamina	Medicinal Plant
BXGF04978	Isatis indigotica	Isatis indigotica	Medicinal Plant
BXGF05964	Citrullus lanatus subsp. vulgaris	Citrullus lanatus subsp. vulgaris	0

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}