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Ligand

NameCHEMBL114084
Molecular formulaC26H32N2O6
IUPAC name(2R,3R,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight468.55
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP0.7
SynonymsBDBM50056083
(2R,3R,4S)-4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(4-methoxy-phenyl)-1-[(methyl-propyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
Inchi KeyFEMRGGRWGGXMND-ZPZUNKDASA-N
Inchi IDInChI=1S/C26H32N2O6/c1-4-11-27(2)23(29)16-28-15-20(18-7-10-21-22(14-18)34-13-12-33-21)24(26(30)31)25(28)17-5-8-19(32-3)9-6-17/h5-10,14,20,24-25H,4,11-13,15-16H2,1-3H3,(H,30,31)/t20-,24-,25+/m1/s1
PubChem CID10298764
ChEMBLCHEMBL114084
IUPHARN/A
BindingDB50056083
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
76414Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
76415Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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