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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

NameCHEMBL3355948
Molecular formulaC25H30FN3OS
IUPAC name2-ethyl-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indole-6-carboxamide
Molecular weight439.593
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50041200
Inchi KeyHACDQWKCIZHKJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30FN3OS/c1-2-22-24(21-9-4-18(25(27)30)16-23(21)28-22)17-10-13-29(14-11-17)12-3-15-31-20-7-5-19(26)6-8-20/h4-9,16-17,28H,2-3,10-15H2,1H3,(H2,27,30)
PubChem CID118721198
ChEMBLCHEMBL3355948
IUPHARN/A
BindingDB50041200
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
446026C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
446025Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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