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Ligand

NameCHEMBL313413
Molecular formulaC36H54NO6P
IUPAC name[(2R)-3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight627.803
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP9.3
SynonymsBDBM50146250
Phosphoric acid mono-[(R)-3-[4-(indan-2-yloxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi KeyBOXVNLGAMFTXKL-KJINXXHRSA-N
Inchi IDInChI=1S/C36H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-36(38)37-33(29-42-44(39,40)41)26-30-22-24-34(25-23-30)43-35-27-31-19-17-18-20-32(31)28-35/h9-10,17-20,22-25,33,35H,2-8,11-16,21,26-29H2,1H3,(H,37,38)(H2,39,40,41)/b10-9-/t33-/m1/s1
PubChem CID44325401
ChEMBLCHEMBL313413
IUPHARN/A
BindingDB50146250
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29257Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
29256Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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