acompound

Showing entry for cyclo(TyrPhe)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0051481
Compound Name	cyclo(TyrPhe)
Structure
Formula	C18H18N2O3
InchiKey	GRWVBLRIPRGGPD-HOTGVXAUSA-N
SMILES	Oc1ccc(cc1)C[C@@H]1N=C(O)[C@@H](N=C1O)Cc1ccccc1
Inchi	InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1
IUPAC	(3S,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Molecular Weight	310.13
Pubchem Id	11438306
Chembl Id	CHEMBL191426

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

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
P9WPP7	BXGT012469	Mycocyclosin synthase	reviewed	cyp121	-	-	-	45600	-

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
P07384	BXGT006619	Calpain-1 catalytic subunit	reviewed	Enzyme	CAPN1	Inhibition	'='	0	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF01045	Dioscorea japonica	Dioscorea japonica	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF03898	Dioscorea polystachya	Dioscorea polystachya	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05330	Arum ternatum thunb	Arum ternatum thunb	Others
BXGF05919	Dioscorea opposita	Dioscorea opposita	Human Edible 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}