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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

NameCHEMBL3577157
Molecular formulaC24H48NO7P
IUPAC name(2S)-2-amino-3-[hydroxy-[3-[(Z)-octadec-9-enoxy]propoxy]phosphoryl]oxypropanoic acid
Molecular weight493.622
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50096432
Inchi KeyIBQCLMOWIXCFEY-AXKWSIDASA-N
Inchi IDInChI=1S/C24H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-20-18-21-31-33(28,29)32-22-23(25)24(26)27/h9-10,23H,2-8,11-22,25H2,1H3,(H,26,27)(H,28,29)/b10-9-/t23-/m0/s1
PubChem CID122177505
ChEMBLCHEMBL3577157
IUPHARN/A
BindingDB50096432
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
478850Putative P2Y purinoceptor 10O00398P2RY10Homo sapiens (Human)339

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