acompound

Showing entry for Michellamine A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043683
Compound Name	Michellamine A
Structure
Formula	C46H48N2O8
InchiKey	GMLBVLXDRNJFGR-MOUTVQLLSA-N
SMILES	COc1cc(C)cc2c1c(O)c(cc2c1c(O)cc(c2c1C[C@@H](C)N[C@@H]2C)O)c1cc(c2c(O)cc(c3c2C[C@@H](C)N[C@@H]3C)O)c2c(c1O)c(OC)cc(c2)C
Inchi	InChI=1S/C46H48N2O8/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52/h9-12,15-18,21-24,47-54H,13-14H2,1-8H3/t21-,22-,23-
IUPAC	(1R,3R)-5-[3-[4-[(1R,3R)-6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
Molecular Weight	756.34
Pubchem Id	454909
Chembl Id	CHEMBL295292

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	BXGT007076	Phospho-N-acetylmuramoyl-pentapeptide-transferase	reviewed		mraY	-	456000	-	-

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
E2QF15	BXGT003091	Phospho-N-acetylmuramoyl-pentapeptide-transferase	unreviewed	-	mraY	Inhibition	'='	60	%
E2QF15	BXGT003091	Phospho-N-acetylmuramoyl-pentapeptide-transferase	unreviewed	-	mraY	Inhibition	'='	20	%
E2QF15	BXGT003091	Phospho-N-acetylmuramoyl-pentapeptide-transferase	unreviewed	-	mraY	IC50	'='	456000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03132	Ancistrocladus korupensis	Ancistrocladus korupensis	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}