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Ligand

NameCHEMBL1094814
Molecular formulaC29H34N2O4
IUPAC name3-[2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(pyridin-3-yloxymethyl)phenyl]propanoic acid
Molecular weight474.601
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50317896
SCHEMBL4369610
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(pyridin-3-yloxy)methyl]phenyl}propanoicacid
Inchi KeyGHYYWBKTACZBAG-HHHXNRCGSA-N
Inchi IDInChI=1S/C29H34N2O4/c1-19(2)12-27(24-14-20(3)13-21(4)15-24)31-29(34)26-16-22(7-8-23(26)9-10-28(32)33)18-35-25-6-5-11-30-17-25/h5-8,11,13-17,19,27H,9-10,12,18H2,1-4H3,(H,31,34)(H,32,33)/t27-/m1/s1
PubChem CID9982348
ChEMBLCHEMBL1094814
IUPHARN/A
BindingDB50317896
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
96940Prostaglandin E2 receptor EP1 subtypeP35375Ptger1Mus musculus (Mouse)405
96938Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
96937Prostaglandin E2 receptor EP3 subtypeP30557Ptger3Mus musculus (Mouse)365
96939Prostaglandin E2 receptor EP4 subtypeP32240Ptger4Mus musculus (Mouse)513

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