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Ligand

NameCHEMBL9139
Molecular formulaC27H34N2O6
IUPAC name(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dipropylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight482.577
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM50050980
(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-dipropylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi KeyAEDZVHIKLJEHDR-OUIFVKKZSA-N
Inchi IDInChI=1S/C27H34N2O6/c1-4-12-28(13-5-2)24(30)16-29-15-21(19-8-11-22-23(14-19)35-17-34-22)25(27(31)32)26(29)18-6-9-20(33-3)10-7-18/h6-11,14,21,25-26H,4-5,12-13,15-17H2,1-3H3,(H,31,32)/t21-,25-,26+/m0/s1
PubChem CID10719598
ChEMBLCHEMBL9139
IUPHARN/A
BindingDB50050980
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3374Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
3376Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
3375Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426
3377Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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