acompound

Showing entry for Abrine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032976
Compound Name	Abrine
Structure
Formula	C12H14N2O2
InchiKey	CZCIKBSVHDNIDH-NSHDSACASA-N
SMILES	CN[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
Inchi	InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
IUPAC	(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
Molecular Weight	218.11
Pubchem Id	160511
Chembl Id	CHEMBL552941

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
Q4GWU5	BXGT014810	Trypsin inhibitor 1	reviewed	sfti1	-	-	-	-	-
O95399	BXGT024237	Urotensin-2	reviewed	UTS2	-	-	-	-	-

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
Q91Y77	BXGT019323	Monocarboxylate transporter 10	reviewed	-	Slc16a10	Ki	'='	3100000	nM
Q4WAW7	BXGT014911	Tryprostatin B synthase	reviewed	-	ftmPT1	Activity	'<='	3	%
Q4WAW7	BXGT014911	Tryprostatin B synthase	reviewed	-	ftmPT1	Activity	'='	29	%
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	15848	nM
Q05BR4	BXGT012851	SLC16A10 protein	unreviewed	-	SLC16A10	Activity	'='	80	%
Q91Y77	BXGT019323	Monocarboxylate transporter 10	reviewed	-	Slc16a10	Activity	'='	70	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	98	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	86	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04705	Abrus precatorius	Abrus precatorius	Medicinal 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}