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Ligand

NameCHEMBL427935
Molecular formulaC21H22N2O6
IUPAC name(2S,3S,4R)-1-(2-amino-2-oxoethyl)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight398.415
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP-0.7
SynonymsBDBM50051010
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-carbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyCQNUXGPALBHTAC-RYGJVYDSSA-N
Inchi IDInChI=1S/C21H22N2O6/c1-27-14-5-2-12(3-6-14)20-19(21(25)26)15(9-23(20)10-18(22)24)13-4-7-16-17(8-13)29-11-28-16/h2-8,15,19-20H,9-11H2,1H3,(H2,22,24)(H,25,26)/t15-,19-,20+/m0/s1
PubChem CID11795139
ChEMBLCHEMBL427935
IUPHARN/A
BindingDB50051010
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
48261Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
48262Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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