acompound

Showing entry for (6R,7R)-7-(4-Carboxybutanoylamino)-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018467
Compound Name	(6R,7R)-7-(4-Carboxybutanoylamino)-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Structure
Formula	C13H16N2O6S
InchiKey	KFAZOAVBYQAACA-BXKDBHETSA-N
SMILES	OC(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)CCCC(=O)O
Inchi	InChI=1S/C13H16N2O6S/c1-6-5-22-12-9(11(19)15(12)10(6)13(20)21)14-7(16)3-2-4-8(17)18/h9,12H,2-5H2,1H3,(H,14,16)(H,17,18)(H,20,21)/t9-,12-/m1/s1
IUPAC	(6R,7R)-7-(4-carboxybutanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Weight	328.07
Pubchem Id	6351451
Chembl Id	CHEMBL1426785

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	BXGT012558	Voltage-dependent N-type calcium channel subunit alpha-1B	reviewed	Ion channel	CACNA1B	-	34000	-	-

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
Q02410	BXGT012652	Amyloid-beta A4 precursor protein-binding family A member 1	reviewed	Transporter	APBA1	IC50	'>'	50000	nM
Q00975	BXGT012558	Voltage-dependent N-type calcium channel subunit alpha-1B	reviewed	Ion channel	CACNA1B	IC50	'>'	50000	nM
Q02410	BXGT012652	Amyloid-beta A4 precursor protein-binding family A member 1	reviewed	Transporter	APBA1	IC50	'='	34000	nM
Q00975	BXGT012558	Voltage-dependent N-type calcium channel subunit alpha-1B	reviewed	Ion channel	CACNA1B	IC50	'='	34000	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	11220	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	5011	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01323	Pinellia pedatisecta	Pinellia pedatisecta	Medicinal Plant
BXGF02542	Inula helenium	Inula helenium	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}