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Ligand

NameCHEMBL322799
Molecular formulaC28H39N3O7
IUPAC name(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
Molecular weight529.634
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP0.2
SynonymsBDBM50066387
SCHEMBL14203773
(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethyl]-pyrrolidine-3-carboxylic acid
Inchi KeyBRSOPSHDSYSPIO-PBDKAQRYSA-N
Inchi IDInChI=1S/C28H39N3O7/c1-3-5-12-29(13-6-4-2)26(34)17-30-16-20(19-7-8-22-23(15-19)38-18-37-22)27(28(35)36)21(30)11-14-31-24(32)9-10-25(31)33/h7-8,15,20-21,27H,3-6,9-14,16-18H2,1-2H3,(H,35,36)/t20-,21+,27-/m1/s1
PubChem CID10626031
ChEMBLCHEMBL322799
IUPHARN/A
BindingDB50066387
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
31312Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
31313Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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