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Ligand

NameCHEMBL321831
Molecular formulaC28H42N2O6
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxylic acid
Molecular weight502.652
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50066373
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(tetrahydro-furan-2-yl)-ethyl]-pyrrolidine-3-carboxylic acid
Inchi KeyABQDXGJXZPQJDX-FTLVJZLWSA-N
Inchi IDInChI=1S/C28H42N2O6/c1-3-5-13-29(14-6-4-2)26(31)18-30-17-22(20-9-12-24-25(16-20)36-19-35-24)27(28(32)33)23(30)11-10-21-8-7-15-34-21/h9,12,16,21-23,27H,3-8,10-11,13-15,17-19H2,1-2H3,(H,32,33)/t21?,22-,23+,27-/m1/s1
PubChem CID11799636
ChEMBLCHEMBL321831
IUPHARN/A
BindingDB50066373
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
1075Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
1074Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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