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Ligand

NameCHEMBL611626
Molecular formulaC36H34O12S
IUPAC name3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-[4-[2-(4-methylsulfonylphenoxy)ethoxy]phenyl]-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-one
Molecular weight690.716
Hydrogen bond acceptor12
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50304495
2-{4-[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-5-oxo-3-(3,4,5-trimethoxybenzyl)-2,5-dihydro-furan-2-yl]phenoxy}ethyl 4-methylbenzenesulfonate
Inchi KeyHGWHELBDVRUNGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H34O12S/c1-41-31-18-22(19-32(42-2)34(31)43-3)17-28-33(23-5-14-29-30(20-23)47-21-46-29)35(37)48-36(28,38)24-6-8-25(9-7-24)44-15-16-45-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3
PubChem CID46228118
ChEMBLCHEMBL611626
IUPHARN/A
BindingDB50304495
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
114605Endothelin receptor type BP48302EdnrbMus musculus (Mouse)442
114606Endothelin-1 receptorQ61614EdnraMus musculus (Mouse)427

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