acompound

Showing entry for (2S)-5-(Diaminomethylideneazaniumyl)-2-(Phenylmethoxycarbonylamino)Pentanoate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0041911
Compound Name	(2S)-5-(Diaminomethylideneazaniumyl)-2-(Phenylmethoxycarbonylamino)Pentanoate
Structure
Formula	C14H20N4O4
InchiKey	SJSSFUMSAFMFNM-NSHDSACASA-N
SMILES	NC(=N)NCCC[C@@H](C(=O)O)N=C(OCc1ccccc1)O
Inchi	InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1
IUPAC	(2S)-5-(diaminomethylideneazaniumyl)-2-(phenylmethoxycarbonylamino)pentanoate
Molecular Weight	308.15
Pubchem Id	71055
Chembl Id	CHEMBL1423296

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
O14786	BXGT004099	Neuropilin-1	reviewed	NRP1	-	-	-	-	-

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	BXGT004099	Neuropilin-1	reviewed		NRP1	-	>95000	-	-

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
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	5011	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	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}