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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

NameCHEMBL3716311
Molecular formulaC26H26N2O6
IUPAC namemethyl 3-[[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl]oxymethyl]benzoate
Molecular weight462.502
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsSCHEMBL15823485
Inchi KeyGBRTVQYLSDTMQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N2O6/c1-31-25(29)19-5-2-4-17(12-19)15-33-20-7-8-22-18(13-20)9-10-28-23(22)14-24(27-26(28)30)34-16-21-6-3-11-32-21/h2,4-5,7-8,12-14,21H,3,6,9-11,15-16H2,1H3
PubChem CID90240535
ChEMBLCHEMBL3716311
IUPHARN/A
BindingDBN/A
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
524181G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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