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Ligand

NameCHEMBL9283
Molecular formulaC31H34N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(N-butylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight530.621
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50050982
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-phenyl-carbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyDFQYXTXEDKPKTC-JPHFWNGBSA-N
Inchi IDInChI=1S/C31H34N2O6/c1-3-4-16-33(23-8-6-5-7-9-23)28(34)19-32-18-25(22-12-15-26-27(17-22)39-20-38-26)29(31(35)36)30(32)21-10-13-24(37-2)14-11-21/h5-15,17,25,29-30H,3-4,16,18-20H2,1-2H3,(H,35,36)/t25-,29-,30+/m0/s1
PubChem CID10792319
ChEMBLCHEMBL9283
IUPHARN/A
BindingDB50050982
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
58814Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
58815Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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