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Ligand

NameBosentan
Molecular formulaC27H29N5O6S
IUPAC name4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Molecular weight551.618
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP3.8
SynonymsDB00559
GTPL3494
KS-5062
147536-97-8
p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
[ Show all ]
Inchi KeyGJPICJJJRGTNOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
PubChem CID104865
ChEMBLCHEMBL957
IUPHAR3494
BindingDB50061101
DrugBankDB00559

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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
98127Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
98129Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
98125Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426
98126Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
98128Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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