acompound

Showing entry for Obaberine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048699
Compound Name	Obaberine
Structure
Formula	C38H42N2O6
InchiKey	FBCXFKWMGIWMJQ-IHLOFXLRSA-N
SMILES	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC)C
Inchi	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
IUPAC
Molecular Weight	622.3
Pubchem Id	100231
Chembl Id	CHEMBL464525

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	BXGT008936	Sodium-dependent dopamine transporter	reviewed		Slc6a3	-	3900	-	-
reviewed	BXGT008440	D(1A) dopamine receptor	reviewed		Drd1	-	39100	-	-
reviewed	BXGT011367	D(2) dopamine receptor	reviewed		Drd2	-	28400	-	-

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
P23977	BXGT008936	Sodium-dependent dopamine transporter	reviewed	-	Slc6a3	IC50	'='	3900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02661	Sphaerophysa salsula	Sphaerophysa salsula	Others
BXGF02930	Euphorbia characias subsp. wulfenii	Euphorbia characias subsp. wulfenii	Medicinal Plant
BXGF02968	Doronicum grandiflorum	Doronicum grandiflorum	Others
BXGF03173	Oxytropis lanata	Oxytropis lanata	Others
BXGF03259	Populus balsamifera	Populus balsamifera	Medicinal Plant
BXGF03331	Strychnos gossweileri	Strychnos gossweileri	Others
BXGF03417	Leibnitzia anandria	Leibnitzia anandria	Medicinal Plant
BXGF03475	Lithocarpus haipinii	Lithocarpus haipinii	Others
BXGF04347	Stephania erecta	Stephania erecta	Others
BXGF05470	Thalictrum lucidum	Thalictrum lucidum	Others
BXGF05762	Ardisia hortorum	Ardisia hortorum	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}