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Ligand

NameCHEMBL9119
Molecular formulaC26H32N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight468.55
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.2
SynonymsBDBM50050989
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(isobutyl-methyl-carbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyDNLZLJDBUZCWIJ-KSNOWIBYSA-N
Inchi IDInChI=1S/C26H32N2O6/c1-16(2)12-27(3)23(29)14-28-13-20(18-7-10-21-22(11-18)34-15-33-21)24(26(30)31)25(28)17-5-8-19(32-4)9-6-17/h5-11,16,20,24-25H,12-15H2,1-4H3,(H,30,31)/t20-,24-,25+/m0/s1
PubChem CID10504475
ChEMBLCHEMBL9119
IUPHARN/A
BindingDB50050989
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64494Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
64493Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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