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Ligand

NameCHEMBL482506
Molecular formulaC17H33O7PS
IUPAC name[(2R)-3-dihydroxyphosphinothioyloxy-2-heptanoyloxypropyl] heptanoate
Molecular weight412.478
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50271806
Heptanoic acid (R)-1-heptanoyloxymethyl-2-thiophosphonooxy-ethyl ester
Inchi KeyKKEVRMGORZIWCG-OAHLLOKOSA-N
Inchi IDInChI=1S/C17H33O7PS/c1-3-5-7-9-11-16(18)22-13-15(14-23-25(20,21)26)24-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,26)/t15-/m1/s1
PubChem CID44586491
ChEMBLCHEMBL482506
IUPHARN/A
BindingDB50271806
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
171084Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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