acompound

Showing entry for N-Caffeoyltryptophan

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000648
Compound Name	N-Caffeoyltryptophan
Structure
Formula	C20H18N2O5
InchiKey	XITPERBRJNUFSB-SOFGYWHQSA-N
SMILES	OC(=O)C(CC1=CNC2=C1C=CC=C2)NC(=O)\C=C\C1=CC(O)=C(O)C=C1
Inchi	InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+
IUPAC	2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-(1H-indol-3-yl)propanoic acid
Molecular Weight	366.37
Pubchem Id	10428959
Chembl Id	CHEMBL3969626

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	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	-	8700	-	-
reviewed	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	5300	-	-	-
reviewed	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	9800	-	-	-
reviewed	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	-	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
Q96EB6	BXGT019646	NAD-dependent protein deacetylase sirtuin-1	reviewed	Epigenetic regulator	SIRT1	IC50	'='	34000	nM
Q8IXJ6	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	Ki	'='	9800	nM
Q8IXJ6	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	IC50	'='	8700	nM
Q8IXJ6	BXGT018362	NAD-dependent protein deacetylase sirtuin-2	reviewed	Epigenetic regulator	SIRT2	Ki	'='	5300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00813	Coffee and coffee products		Coffee and coffee products

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}