acompound

Showing entry for Berkeleyamide A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024539
Compound Name	Berkeleyamide A
Structure
Formula	C18H25NO3
InchiKey	KACACYYTPVUKSL-UAGQMJEPSA-N
SMILES	O[C@H]([C@H]1C[C@@H](N=C1O)CC(C)C)CC(=O)Cc1ccccc1
Inchi	InChI=1S/C18H25NO3/c1-12(2)8-14-10-16(18(22)19-14)17(21)11-15(20)9-13-6-4-3-5-7-13/h3-7,12,14,16-17,21H,8-11H2,1-2H3,(H,19,22)/t14-,16+,17-/m0/s1
IUPAC	(3R,5S)-3-[(1S)-1-hydroxy-3-oxo-4-phenylbutyl]-5-(2-methylpropyl)pyrrolidin-2-one
Molecular Weight	303.18
Pubchem Id	44577362
Chembl Id	CHEMBL466565

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

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	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	-	330	-	-
reviewed	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	-	330	-	-

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
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	IC50	'='	330	nM
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	IC50	'='	330	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01956	Helianthus pumilus	Helianthus pumilus	Others
BXGF02041	Stemona parviflora	Stemona parviflora	Others
BXGF04202	Clibadium microcephalum	Clibadium microcephalum	Others
BXGF05019	Schkuhria anthemoidea	Schkuhria anthemoidea	Others
BXGF05176	Leucas aspera	Leucas aspera	Medicinal Plant
BXGF06191	Globularia nudicaulis	Globularia nudicaulis	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}