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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

NameCHEMBL2159481
Molecular formulaC24H24F2N2O3S
IUPAC name3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
Molecular weight458.524
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50393387
Inchi KeyAJRQMVCEFKRUBB-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24F2N2O3S/c25-22-11-10-20(16-23(22)26)32(29,30)27-19-12-13-28(17-19)14-15-31-24-9-5-4-8-21(24)18-6-2-1-3-7-18/h1-11,16,19,27H,12-15,17H2
PubChem CID71449643
ChEMBLCHEMBL2159481
IUPHARN/A
BindingDB50393387
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71755-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
71765-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
71735-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
7174D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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