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Ligand

NameCHEMBL368558
Molecular formulaC30H40N2O6
IUPAC name2-[(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidin-3-yl]acetic acid
Molecular weight524.658
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50146610
[(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidin-3-yl]-acetic acid
Inchi KeyBXLNWOMSBXJQRE-KQZWIPHESA-N
Inchi IDInChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)28(33)19-32-18-25(22-10-13-26-27(16-22)38-20-37-26)24(17-29(34)35)30(32)21-8-11-23(36-3)12-9-21/h8-13,16,24-25,30H,4-7,14-15,17-20H2,1-3H3,(H,34,35)/t24-,25-,30+/m1/s1
PubChem CID44387124
ChEMBLCHEMBL368558
IUPHARN/A
BindingDB50146610
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
35195Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
35194Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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