acompound

Showing entry for Nostocyclopeptide A1

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032490
Compound Name	Nostocyclopeptide A1
Structure
Formula	C37H56N8O9
InchiKey	TZHROWIOAVYSMP-DOPKCXIESA-N
SMILES	CC[C@@H]([C@@H]1N=C(O)[C@@H](CCC(=N)O)N=C(O)CN=C(O)[C@@H](/N=C/[C@@H](N=C([C@H]2N(C(=O)[C@@H](N=C1O)CO)C[C@H](C2)C)O)CC(C)C)Cc1ccc(cc1)O)C
Inchi	InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,
IUPAC
Molecular Weight	756.42
Pubchem Id
Chembl Id	CHEMBL451336

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

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
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	IC50	'<'	50000	nM
P00784	BXGT005655	Papain	reviewed	-		IC50	'<'	25000	nM
P00747	BXGT005639	Plasminogen	reviewed	Enzyme	PLG	IC50	'<'	50000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02721	Neurolaena lobata	Neurolaena lobata	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}