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Ligand

NameCHEMBL594265
Molecular formulaC29H27BrO9
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3-(2-bromoethoxy)-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight599.43
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.7
Synonyms3-Benzo[1,3]dioxol-5-yl-4-[3-(2-bromoethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
BDBM50304494
Inchi KeyGEKSWALNDXSWLV-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27BrO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3
PubChem CID46228086
ChEMBLCHEMBL594265
IUPHARN/A
BindingDB50304494
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
94422Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
94423Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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