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Ligand

NameCHEMBL343723
Molecular formulaC31H39N4O11PS
IUPAC name(2S,4S)-4-[4-(2-phosphonoethyl)phenoxy]-1-[(2R)-2-[4-[(2-sulfobenzoyl)amino]imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Molecular weight706.704
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP2.4
Synonyms(2S,4S)-4-[4-(2-Phosphonoethyl)phenoxy]-1-[(R)-2-[4-[(2-sulfobenzoyl)amino]-1H-imidazol-1-yl]octanoyl]pyrrolidine-2-carboxylic acid
Inchi KeyAHVBCXNTEARNKF-DMDYGQEQSA-N
Inchi IDInChI=1S/C31H39N4O11PS/c1-2-3-4-5-9-25(34-19-28(32-20-34)33-29(36)24-8-6-7-10-27(24)48(43,44)45)30(37)35-18-23(17-26(35)31(38)39)46-22-13-11-21(12-14-22)15-16-47(40,41)42/h6-8,10-14,19-20,23,25-26H,2-5,9,15-18H2,1H3,(H,33,36)(H,38,39)(H2,40,41,42)(H,43,44,45)/t23-,25+,26-/m0/s1
PubChem CID10395020
ChEMBLCHEMBL343723
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5902Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
5903Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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