acompound

General Compound Information
BXGC Id	BXGC0034277
Compound Name	(3S,6S)-3,6-Bis-(4-Hydroxy-Benzyl)-1,4-Dimethyl-Piperazine-2,5-Dione
Structure
Formula	C20H22N2O4
InchiKey	LVVOUDOWZDIZFR-ROUUACIJSA-N
SMILES	CN1C(=O)[C@H](Cc2ccc(cc2)O)N(C(=O)[C@@H]1Cc1ccc(cc1)O)C
Inchi	InChI=1S/C20H22N2O4/c1-21-17(11-13-3-7-15(23)8-4-13)20(26)22(2)18(19(21)25)12-14-5-9-16(24)10-6-14/h3-10,17-18,23-24H,11-12H2,1-2H3/t17-,18-/m0/s1
IUPAC	(3S,6S)-3,6-bis[(4-hydroxyphenyl)methyl]-1,4-dimethylpiperazine-2,5-dione
Molecular Weight	354.16
Pubchem Id	10473315
Chembl Id	CHEMBL89560

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	BXGT006619	Calpain-1 catalytic subunit	reviewed	Enzyme	CAPN1	-	800	-	-

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	IC50	'='	800	nM
P07384	BXGT006619	Calpain-1 catalytic subunit	reviewed	Enzyme	CAPN1	Inhibition	'='	0	%
P04574	BXGT006230	Calpain small subunit 1	reviewed	-	CAPNS1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01352	Malva crispa	Malva crispa	Human Edible Plant
BXGF01393	Croton californicus	Croton californicus	Others
BXGF01407	Solanum toxicarium	Solanum toxicarium	Others
BXGF01995	Ratibida latipalearis	Ratibida latipalearis	Medicinal Plant
BXGF02666	Culcitium canescens	Culcitium canescens	Others
BXGF02876	Andropogon nardus	Andropogon nardus	Medicinal Plant
BXGF03866	Toxicodendron succedaneum	Toxicodendron succedaneum	Medicinal Plant
BXGF05016	Nolina erumpens	Nolina erumpens	Others
BXGF05063	Aglaia gigantea	Aglaia gigantea	Others
BXGF05419	Dendrobium rotundatum	Dendrobium rotundatum	Others
BXGF05719	Neoalsomitra integrifolia	Neoalsomitra integrifolia	Others
BXGF05815	Espeletia marcana	Espeletia marcana	Others
BXGF05830	Clibadium pentaneuron	Clibadium pentaneuron	Others
BXGF06019	Picrorhiza kurrooa	Picrorhiza kurrooa	Medicinal Plant
BXGF06047	Petasites niveus	Petasites niveus	Others
BXGF06133	Eriostemon fitzgeraldii	Eriostemon fitzgeraldii	Others
BXGF06196	Weddellina squamulosa	Weddellina squamulosa	Others
BXGF06258	Croton sparsiflorus	Croton sparsiflorus	Medicinal Plant
BXGF06313	Piptolepis leptospermoides	Piptolepis leptospermoides	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}