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Ligand

NameCHEMBL204037
Molecular formulaC19H39N2O6P
IUPAC name[(2S)-2-(octanoylamino)-3-(octylamino)-3-oxopropyl] dihydrogen phosphate
Molecular weight422.503
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.6
SynonymsBDBM50176396
phosphoric acid mono-((S)-2-octanoylamino-2-octylcarbamoyl-ethyl) ester
Serine amide phospate derivative
Inchi KeyKYYOMFFWXGDZHH-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1
PubChem CID44394293
ChEMBLCHEMBL204037
IUPHARN/A
BindingDB50176396
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
181599Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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