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Ligand

NameCHEMBL326191
Molecular formulaC30H40N2O5
IUPAC name(2R,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-4-(2,3-dihydro-1-benzofuran-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight508.659
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.6
Synonyms(2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50056081
2beta-(4-Methoxyphenyl)-4beta-(2,3-dihydrobenzofuran-6-yl)-1-(dibutylcarbamoylmethyl)pyrrolidine-3alpha-carboxylic acid
Inchi KeyAFEYCZJMYZYJSC-ZJGIAAPESA-N
Inchi IDInChI=1S/C30H40N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(23-9-8-21-14-17-37-26(21)18-23)28(30(34)35)29(32)22-10-12-24(36-3)13-11-22/h8-13,18,25,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1
PubChem CID10649321
ChEMBLCHEMBL326191
IUPHARN/A
BindingDB50056081
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4113Endothelin receptor type BP35463EDNRBSus scrofa (Pig)443
4114Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
4112Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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