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Ligand

NameCHEMBL482498
Molecular formulaC26H20N2O8
IUPAC name(E)-4-[4-[3-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid
Molecular weight488.452
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.9
Synonyms4,4''-(4,4''-(1,3-phenylenebis(oxy))bis(4,1-phenylene))bis(azanediyl)bis(4-oxobut-2-enoic acid)
MolPort-001-015-587
AKOS003244689
(E)-4-[4-[3-[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenoxy]phenoxy]anilino]-4-oxobut-2-enoic acid
STK155992
[ Show all ]
Inchi KeyHZFPOTBCYPWQSH-QUMQEAAQSA-N
Inchi IDInChI=1S/C26H20N2O8/c29-23(12-14-25(31)32)27-17-4-8-19(9-5-17)35-21-2-1-3-22(16-21)36-20-10-6-18(7-11-20)28-24(30)13-15-26(33)34/h1-16H,(H,27,29)(H,28,30)(H,31,32)(H,33,34)/b14-12+,15-13+
PubChem CID2260227
ChEMBLCHEMBL482498
IUPHARN/A
BindingDB50271765
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
127641Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
127640Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
127642Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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