acompound

Showing entry for Aniline

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0002610
Compound Name	Aniline
Structure
Formula	C6H7N
InchiKey	PAYRUJLWNCNPSJ-UHFFFAOYSA-N
SMILES	NC1=CC=CC=C1
Inchi	InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
IUPAC	aniline
Molecular Weight	93.13
Pubchem Id	6115
Chembl Id	CHEMBL538

Targets of Information Source

DrugBank

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
P06870	BXGT006518	Kallikrein-1	reviewed	Enzyme	KLK1	experimental	-
P02768	BXGT005955	Serum albumin	reviewed	Transporter	ALB	experimental	-

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
P00431	BXGT005533	Cytochrome c peroxidase, mitochondrial	reviewed	CCP1	-	-	-	-	-
P00760	BXGT005644	Cationic trypsin	reviewed		-	-	-	-	-
P04361	BXGT006196	Basic phospholipase A2 homolog	reviewed		-	-	-	-	-
P00953	BXGT005702	Tryptophan--tRNA ligase	reviewed	trpS	-	-	-	-	-
P00720	BXGT005625	Endolysin	reviewed	E	-	-	-	-	-
P00800	BXGT005661	Thermolysin	reviewed	npr	-	-	-	-	-

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	BXGT012462	Cytochrome P450 130	reviewed		cyp130	-	-	55200	-
reviewed	BXGT012463	Cytochrome P450 130	reviewed		cyp130	-	-	2504000	-
reviewed	BXGT012460	Steroid C26-monooxygenase	reviewed		cyp142	-	-	59200	-

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
Q64133	BXGT016109	Amine oxidase [flavin-containing] A	reviewed	-	Maoa	Activity	-	-	-
P00720	BXGT005625	Endolysin	reviewed	-	E	Delta Tm	'='	0	degrees C
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	1258	nM
Q8BW75	BXGT017924	Amine oxidase [flavin-containing] B	reviewed	-	Maob	Activity	-	-	-
P05181	BXGT006337	Cytochrome P450 2E1	reviewed	-	CYP2E1	Activity	-	-	-
P00720	BXGT005625	Endolysin	reviewed	-	E	Delta Tm	'='	0	degrees C
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	IC50	-	-	-
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Activity	'='	100	%
P22310	BXGT008754	UDP-glucuronosyltransferase 1-4	reviewed	-	UGT1A4	Activity	'='	49	pm/min/mg
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	IC50	-	-	-
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Activity	'='	100	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00105	Apple	Malus pumila	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00802	Soft-necked garlic	Allium sativum L. var. sativum	Herbs and Spices
BXGF00803	Cabbage	Brassica oleracea var. capitata	Vegetables
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables

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}