acompound

General Compound Information
BXGC Id	BXGC0003067
Compound Name	Pyrrol-2-methylketone
Structure
Formula	C6H7NO
InchiKey	IGJQUJNPMOYEJY-UHFFFAOYSA-N
SMILES	CC(=O)C1=CC=CN1
Inchi	InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
IUPAC	1-(1H-pyrrol-2-yl)ethan-1-one
Molecular Weight	109.13
Pubchem Id	14079
Chembl Id	CHEMBL1414126

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

n.a

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

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
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	98	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	111	%

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
BXGF00081	Fig	Ficus carica	Fruits
BXGF00170	Sesame	Sesamum orientale	Herbs and Spices
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00380	White mustard	Sinapis alba	Herbs and Spices
BXGF00808	Pomes		Fruits
BXGF00810	Cereals and cereal products		Cereals and cereal products
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00821	Nuts		Nuts
BXGF00824	Green vegetables		Vegetables
BXGF00825	Root vegetables		Vegetables
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02444	Valeriana officinalis	Valeriana officinalis	Medicinal Plant
BXGF02567	Lycium chinense	Lycium chinense	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03645	Lycium barbarum	Lycium barbarum	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	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}