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Ligand

NameCHEMBL593928
Molecular formulaC36H34O12S
IUPAC name3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-[2-(4-methylsulfonylphenoxy)ethoxy]phenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight690.716
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50304497
2-(5-{[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl}-2,3-dimethoxyphenoxy)ethyl 4-methylbenzenesulfonate
Inchi KeyPAWQUQKYUGKVJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H34O12S/c1-41-25-8-6-24(7-9-25)36(38)28(33(35(37)48-36)23-5-14-29-30(20-23)47-21-46-29)17-22-18-31(42-2)34(43-3)32(19-22)45-16-15-44-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3
PubChem CID46228117
ChEMBLCHEMBL593928
IUPHARN/A
BindingDB50304497
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
255237Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
255236Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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