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Ligand

NameCHEMBL122832
Molecular formulaC29H30N2O8
IUPAC name(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight534.565
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP1.2
Synonyms(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethoxy-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
BDBM50080600
1-[[(2,6-Dimethoxyphenyl)carbamoyl]methyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi KeyBKGYGEADRLJUHK-LVPRMVSMSA-N
Inchi IDInChI=1S/C29H30N2O8/c1-35-19-10-7-17(8-11-19)28-26(29(33)34)20(18-9-12-21-24(13-18)39-16-38-21)14-31(28)15-25(32)30-27-22(36-2)5-4-6-23(27)37-3/h4-13,20,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t20-,26-,28+/m1/s1
PubChem CID10816152
ChEMBLCHEMBL122832
IUPHARN/A
BindingDB50080600
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
25766Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
25765Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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