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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3577165
Molecular formulaC21H42NO9P
IUPAC name(2S,3S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-tetradecanoyloxypropoxy]phosphoryl]oxybutanoic acid
Molecular weight483.539
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50096437
Inchi KeyIPBQIUXFMHESEL-NSHGMRRFSA-N
Inchi IDInChI=1S/C21H42NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(24)29-15-18(23)16-30-32(27,28)31-17(2)20(22)21(25)26/h17-18,20,23H,3-16,22H2,1-2H3,(H,25,26)(H,27,28)/t17-,18+,20-/m0/s1
PubChem CID122177511
ChEMBLCHEMBL3577165
IUPHARN/A
BindingDB50096437
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
479995Probable G-protein coupled receptor 174Q9BXC1GPR174Homo sapiens (Human)333
479994Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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