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Ligand

NameCHEMBL326861
Molecular formulaC27H36N2O7S
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[propyl(propylsulfonyl)amino]ethyl]pyrrolidine-3-carboxylic acid
Molecular weight532.652
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP1.4
Synonyms(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-{2-[(propane-1-sulfonyl)-propyl-amino]-ethyl}-pyrrolidine-3-carboxylic acid
BDBM50061079
Inchi KeyACFKURGLCFFKSZ-RCXJIHSJSA-N
Inchi IDInChI=1S/C27H36N2O7S/c1-4-12-29(37(32,33)15-5-2)14-13-28-17-22(20-8-11-23-24(16-20)36-18-35-23)25(27(30)31)26(28)19-6-9-21(34-3)10-7-19/h6-11,16,22,25-26H,4-5,12-15,17-18H2,1-3H3,(H,30,31)/t22-,25-,26+/m1/s1
PubChem CID10302092
ChEMBLCHEMBL326861
IUPHARN/A
BindingDB50061079
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
1507Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
1506Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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