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Ligand

NameCHEMBL9334
Molecular formulaC28H36N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-[butyl(propyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight496.604
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50050975
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-propyl-carbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyBSMQWDCPKODFQI-WDDWZANVSA-N
Inchi IDInChI=1S/C28H36N2O6/c1-4-6-14-29(13-5-2)25(31)17-30-16-22(20-9-12-23-24(15-20)36-18-35-23)26(28(32)33)27(30)19-7-10-21(34-3)11-8-19/h7-12,15,22,26-27H,4-6,13-14,16-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1
PubChem CID10648937
ChEMBLCHEMBL9334
IUPHARN/A
BindingDB50050975
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31790Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
31792Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
31789Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
31791Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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