acompound

Showing entry for 1H-Indole-3-carboxaldehyde

General Compound Information
BXGC Id	BXGC0000558
Compound Name	1H-Indole-3-carboxaldehyde
Structure
Formula	C9H7NO
InchiKey	OLNJUISKUQQNIM-UHFFFAOYSA-N
SMILES	O=CC1=CNC2=C1C=CC=C2
Inchi	InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
IUPAC	1H-indole-3-carbaldehyde
Molecular Weight	145.16
Pubchem Id	10256
Chembl Id	CHEMBL147741

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

I3A

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
Q5V5P7	BXGT015881	HTR-like protein	unreviewed	htlD	-	-	-	-	-
P80457	BXGT011911	Xanthine dehydrogenase/oxidase	reviewed	XDH	-	-	-	-	-
P46422	BXGT010518	Glutathione S-transferase F2	reviewed	GSTF2	-	-	-	-	0.09

Binding DB

50182880

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	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	-	79000	-	-
reviewed	BXGT007716	Cytochrome P450 2A6	reviewed		CYP2A6	11000	-	-	-
reviewed	BXGT007783	Inosine-5'-monophosphate dehydrogenase 2	reviewed	Enzyme	IMPDH2	-	22700	-	-
reviewed	BXGT012615	Pteridine reductase 1	reviewed		PTR1	-	1100000	-	-
reviewed	BXGT006618	Bifunctional dihydrofolate reductase-thymidylate synthase	reviewed		LmjF06.0860	-	2000000	-	-

CHEMBL

CHEMBL147741

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
P00374	BXGT005520	Dihydrofolate reductase	reviewed	Enzyme	DHFR	Inhibition	-	-	-
P12268	BXGT007783	Inosine-5'-monophosphate dehydrogenase 2	reviewed	Enzyme	IMPDH2	IC50	'='	22700	nM
Q01782	BXGT012615	Pteridine reductase 1	reviewed	-	PTR1	IC50	'='	1100000	nM
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	IC50	'='	79000	nM
Q862F3	BXGT017581	Similar to alpha-tubulin isoform 1	unreviewed	-		Inhibition	'='	0	%
Q862L2	BXGT017582	Similar to alpha-tubulin isoform 1	unreviewed	-		Inhibition	'='	0	%
Q6B856	BXGT016212	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	'='	0	%
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Ki	'='	11000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'>'	30	%
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Inhibition	-	-	-
P11509	BXGT007716	Cytochrome P450 2A6	reviewed	-	CYP2A6	Inhibition	-	-	-
P07382	BXGT006618	Bifunctional dihydrofolate reductase-thymidylate synthase	reviewed	-	LmjF06.0860	IC50	'='	2000000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00031	Cauliflower	Brassica oleracea var. botrytis	Vegetables
BXGF00032	Brussel sprouts	Brassica oleracea var. gemmifera	Vegetables
BXGF00039	Capers	Capparis spinosa	Herbs and Spices
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00065	Cucumber	Cucumis sativus	Gourds
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00171	Garden tomato	Solanum lycopersicum	Vegetables
BXGF00199	Gram bean	Vigna mungo	Pulses
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00816	Fats and oils		Fats and oils
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables
BXGF01324	Albizia julibrissin	Albizia julibrissin	Medicinal Plant
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF02362	Prunus serrulata var. spontanea	Prunus serrulata var. spontanea	Medicinal Plant
BXGF02367	Phonus arborescens	Phonus arborescens	Others
BXGF02965	Arabidopsis thaliana	Arabidopsis thaliana	Medicinal Plant
BXGF03580	Urtica dioica	Urtica dioica	Medicinal Plant
BXGF03892	Sesamum indicum	Sesamum indicum	0
BXGF03919	Xanthium strumarium	Xanthium strumarium	Medicinal Plant
BXGF04922	Euphorbia ebracteolata	Euphorbia ebracteolata	Medicinal Plant
BXGF04971	Pycnarrhena ozantha	Pycnarrhena ozantha	Others
BXGF04978	Isatis indigotica	Isatis indigotica	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF06139	Brassica rapa subsp. oleifera	Brassica rapa subsp. oleifera	0
BXGF06148	Patrinia villosa	Patrinia villosa	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}