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Ligand

NameCHEMBL266337
Molecular formulaC25H30N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight454.523
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.0
SynonymsBDBM50050973
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(isobutylcarbamoyl-methyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyAPOZKNXGGZDGHF-WDJPJFJCSA-N
Inchi IDInChI=1S/C25H30N2O6/c1-15(2)11-26-22(28)13-27-12-19(17-6-9-20-21(10-17)33-14-32-20)23(25(29)30)24(27)16-4-7-18(31-3)8-5-16/h4-10,15,19,23-24H,11-14H2,1-3H3,(H,26,28)(H,29,30)/t19-,23-,24+/m0/s1
PubChem CID10647373
ChEMBLCHEMBL266337
IUPHARN/A
BindingDB50050973
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
11197Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
11198Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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