acompound

Showing entry for Methyl (2R)-2-Amino-3-Sulfanylpropanoate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025020
Compound Name	Methyl (2R)-2-Amino-3-Sulfanylpropanoate
Structure
Formula	C4H9NO2S
InchiKey	MCYHPZGUONZRGO-VKHMYHEASA-N
SMILES	COC(=O)[C@H](CS)N
Inchi	InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
IUPAC	methyl (2R)-2-amino-3-sulfanylpropanoate
Molecular Weight	135.04
Pubchem Id	29145
Chembl Id	CHEMBL1231844

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
P59768	BXGT011277	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	reviewed	GNG2	Enzyme modulator	-	-	-	-

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	BXGT004860	Perilipin-1	reviewed		PLIN1	-	7335	-	-
reviewed	BXGT012560	Perilipin-5	reviewed		PLIN5	-	4641	-	-

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	13335	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	1995	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	39810	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	39810	nM
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	0	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	707	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00008	Garlic	Allium sativum	Herbs and Spices

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}