acompound

Showing entry for Indole

General Compound Information
BXGC Id	BXGC0051398
Compound Name	Indole
Structure
Formula	C8H7N
InchiKey	SIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES	c1ccc2c(c1)[nH]cc2
Inchi	InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
IUPAC	1H-indole
Molecular Weight	117.06
Pubchem Id	798
Chembl Id	CHEMBL15844

Targets of Information Source

DrugBank

DB04532

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
P00720	BXGT005625	Endolysin	reviewed	-	E	experimental	-
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	-	cobT	experimental	-

PDB

IND

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
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	289000	-
P0A110	BXGT006978	Naphthalene 1,2-dioxygenase system, large oxygenase component	reviewed	ndoB	-	-	-	-	-
Q05603	BXGT012829	Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	reviewed	cobT	-	-	-	-	-
Q9X3R9	BXGT022140	Aromatic ring-hydroxylating dioxygenase subunit alpha	unreviewed	narAa	-	-	-	-	-
Q16696	BXGT013658	Cytochrome P450 2A13	reviewed	CYP2A13	-	-	-	-	-
Q83XK4	BXGT017527	Putative flavin-containing monooxygenase	unreviewed		-	-	-	-	-
Q8T6R7	BXGT018776	AGAP010489-PA	unreviewed	OBP-4	-	-	-	-	-
P81460	BXGT011951	Concanavalin-A	reviewed		-	-	-	-	-
P22498	BXGT008775	Beta-galactosidase	reviewed	lacS	-	-	-	-	-
I7IIA9	BXGT003729	XiaF protein	unreviewed	xiaF	-	-	-	-	-
Q9LBX2	BXGT021065	Thermophilic dibenzothiophene desulfurization enzyme C	unreviewed	tdsC	-	-	-	-	-

Binding DB

50094702

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	BXGT007140	Trp operon repressor	reviewed		trpR	-	-	25100	-
reviewed	BXGT011115	Adenosine kinase	reviewed	Kinase	ADK	-	-	3000000	-
reviewed	BXGT008591	Integrin alpha-L	reviewed		ITGAL	-	-	300000	-
reviewed	BXGT008802	Carbonic anhydrase 4	reviewed		CA4	2330	-	-	-
reviewed	BXGT008844	Carbonic anhydrase 6	reviewed		CA6	3630	-	-	-
reviewed	BXGT014517	Carbonic anhydrase 3	reviewed		CA3	17600	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	27400	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	32500	-	-	-

CHEMBL

CHEMBL15844

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
P05107	BXGT006316	Integrin beta-2	reviewed	Receptor	ITGB2	Kd	'='	300000	nM
P05362	BXGT006350	Intercellular adhesion molecule 1	reviewed	-	ICAM1	Kd	'='	300000	nM
P20701	BXGT008591	Integrin alpha-L	reviewed	-	ITGAL	Kd	'='	300000	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	Activity	-	-	-
P55263	BXGT011115	Adenosine kinase	reviewed	Kinase	ADK	Kd	'='	3000000	nM
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Inhibition	'='	68	%
P49840	BXGT010749	Glycogen synthase kinase-3 alpha	reviewed	Kinase	GSK3A	Inhibition	'='	68	%
P23280	BXGT008844	Carbonic anhydrase 6	reviewed	-	CA6	Ki	'='	3630	nM
P00720	BXGT005625	Endolysin	reviewed	-	E	Kd	'='	290000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	27400	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	32500	nM
P02769	BXGT005956	Serum albumin	reviewed	-	ALB	Log 1/C	'='	4	-
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Inhibition	'='	81	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Inhibition	'='	81	%
Q15078	BXGT013534	Cyclin-dependent kinase 5 activator 1	reviewed	Enzyme modulator	CDK5R1	Inhibition	'='	78	%
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Inhibition	'='	78	%
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Inhibition	'='	76	%
P49840	BXGT010749	Glycogen synthase kinase-3 alpha	reviewed	Kinase	GSK3A	Inhibition	'='	76	%
B5U2Z5	BXGT002179	Phenol oxidase	unreviewed	-		IC50	'='	78320	nM
Q3SZX4	BXGT014517	Carbonic anhydrase 3	reviewed	-	CA3	Ki	'='	17600	nM
P22748	BXGT008802	Carbonic anhydrase 4	reviewed	-	CA4	Ki	'='	2330	nM
B5U2Z5	BXGT002179	Phenol oxidase	unreviewed	-		Inhibition	-	-	-
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF01065	Artemisia capillaris	Artemisia capillaris	Medicinal Plant
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03423	Chimonanthus fragrans	Chimonanthus fragrans	Others
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04452	Citrus japonica	Citrus japonica	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04971	Pycnarrhena ozantha	Pycnarrhena ozantha	Others

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}