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Ligand

NameCHEMBL155708
Molecular formulaC29H26N2O8S
IUPAC name4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-7-[methyl(methylsulfonyl)amino]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid
Molecular weight562.593
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.0
Synonyms1-(2-Methoxybenzyl)-2-oxo-4-(4-methoxyphenyl)-7-[methyl(methylsulfonyl)amino]-1,2-dihydrobenzofuro[3,2-b]pyridine-3-carboxylic acid
BDBM50075429
7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benzyl)-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-benzo[4,5]furo[3,2-b]pyridine-3-carboxylic acid
Inchi KeyBUEBWCGIXCYPOZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34)
PubChem CID44371773
ChEMBLCHEMBL155708
IUPHARN/A
BindingDB50075429
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
32950Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
32949Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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