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Ligand

NameCHEMBL129220
Molecular formulaC30H40N2O7
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight540.657
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.4
Synonyms4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(3,4-dimethoxy-phenyl)-pyrrolidine-3-carboxylic acid
(2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
2beta-(3,4-Dimethoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)-1-(dibutylcarbamoylmethyl)pyrrolidine-3alpha-carboxylic acid
BDBM50106403
CTK6E1836
Inchi KeyAMGMEJZMJQUMLN-WVLFPKRMSA-N
Inchi IDInChI=1S/C30H40N2O7/c1-5-7-13-31(14-8-6-2)27(33)18-32-17-22(20-9-12-24-26(15-20)39-19-38-24)28(30(34)35)29(32)21-10-11-23(36-3)25(16-21)37-4/h9-12,15-16,22,28-29H,5-8,13-14,17-19H2,1-4H3,(H,34,35)/t22-,28-,29+/m1/s1
PubChem CID11827657
ChEMBLCHEMBL129220
IUPHARN/A
BindingDB50106403
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
8860Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
8861Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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