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Ligand

NameCHEMBL117798
Molecular formulaC21H40NO4PS
IUPAC name(Z)-N-(3-dihydroxyphosphinothioyl-3-oxopropyl)octadec-9-enamide
Molecular weight433.588
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP6.6
SynonymsBDBM50148349
(3-Octadec-9-enoylamino-propionyl)-phosphonothioic acid
Inchi KeyRULDNVDOWBRXSL-KTKRTIGZSA-N
Inchi IDInChI=1S/C21H40NO4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21(24)27(25,26)28/h9-10H,2-8,11-19H2,1H3,(H,22,23)(H2,25,26,28)/b10-9-
PubChem CID44343866
ChEMBLCHEMBL117798
IUPHARN/A
BindingDB50148349
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
305408Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
305407Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
305409Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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