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Ligand

NameCHEMBL323789
Molecular formulaC28H38N2O7S
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[2-methylpropyl(propylsulfonyl)amino]ethyl]pyrrolidine-3-carboxylic acid
Molecular weight546.679
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.9
Synonyms(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[isobutyl-(propane-1-sulfonyl)-amino]-ethyl}-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50061106
1-[2-[Isobutyl(propylsulfonyl)amino]ethyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxol-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi KeyBREMXOULYOZQBW-MVNQZMKCSA-N
Inchi IDInChI=1S/C28H38N2O7S/c1-5-14-38(33,34)30(16-19(2)3)13-12-29-17-23(21-8-11-24-25(15-21)37-18-36-24)26(28(31)32)27(29)20-6-9-22(35-4)10-7-20/h6-11,15,19,23,26-27H,5,12-14,16-18H2,1-4H3,(H,31,32)/t23-,26-,27+/m1/s1
PubChem CID10230835
ChEMBLCHEMBL323789
IUPHARN/A
BindingDB50061106
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
30927Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
30926Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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