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Ligand

NameCHEMBL3621956
Molecular formulaC21H42NO6P
IUPAC name[(2R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight435.542
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.6
SynonymsN-{(1r)-2-hydroxy-1-[(phosphonooxy)methyl]ethyl}(9z)octadec-9-enamide
SCHEMBL13109923
Inchi KeyOTPODXRPJGBQEK-GDCKJWNLSA-N
Inchi IDInChI=1S/C21H42NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19-28-29(25,26)27/h9-10,20,23H,2-8,11-19H2,1H3,(H,22,24)(H2,25,26,27)/b10-9-/t20-/m1/s1
PubChem CID58787991
ChEMBLCHEMBL3621956
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
493887Lysophosphatidic acid receptor 1P61793Lpar1Mus musculus (Mouse)364
493886Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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