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Ligand

NameCHEMBL92593
Molecular formulaC32H56NO6P
IUPAC name[(2S)-3-[4-(3-methylbutoxy)phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
Molecular weight581.775
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP8.9
SynonymsBDBM50146252
Phosphoric acid mono-[(S)-3-[4-(3-methyl-butoxy)-phenyl]-2-((Z)-octadec-9-enoylamino)-propyl] ester
Inchi KeyIZCBSRVXYMBWHV-NRESKRBGSA-N
Inchi IDInChI=1S/C32H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(34)33-30(27-39-40(35,36)37)26-29-20-22-31(23-21-29)38-25-24-28(2)3/h11-12,20-23,28,30H,4-10,13-19,24-27H2,1-3H3,(H,33,34)(H2,35,36,37)/b12-11-/t30-/m0/s1
PubChem CID44325364
ChEMBLCHEMBL92593
IUPHARN/A
BindingDB50146252
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
145191Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
145192Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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