acompound

Showing entry for Brassinin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005345
Compound Name	Brassinin
Structure
Formula	C11H12N2S2
InchiKey	QYKQWFZDEDFELK-UHFFFAOYSA-N
SMILES	CSC(=S)NCC1=CNC2=C1C=CC=C2
Inchi	InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
IUPAC	N-(1H-indol-3-ylmethyl)(methylsulfanyl)carbothioamide
Molecular Weight	236.36
Pubchem Id	3035211
Chembl Id	CHEMBL373777

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	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed		IDO1	97700	-	-	-
reviewed	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed		IDO1	12000	-	-	-
reviewed	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed		IDO1	98000	-	-	-

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
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	35481	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	0	%
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	28183	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	35481	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	35481	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-5	%
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	10000	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	10000	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	44668	nM
P14902	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed	-	IDO1	Ki	'='	97700	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	35481	nM
P14902	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed	-	IDO1	Ki	'='	12000	nM
P14902	BXGT008065	Indoleamine 2,3-dioxygenase 1	reviewed	-	IDO1	Ki	'='	98000	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	398	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00031	Cauliflower	Brassica oleracea var. botrytis	Vegetables
BXGF00035	Chinese cabbage	Brassica rapa	Vegetables
BXGF00809	Brassicas		Vegetables

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}