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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

NameCHEMBL3355943
Molecular formulaC23H27FN2OS
IUPAC name[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
Molecular weight398.54
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50041184
Inchi KeyIVMJBDLZRRUJCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2
PubChem CID118721193
ChEMBLCHEMBL3355943
IUPHARN/A
BindingDB50041184
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
447312C-C chemokine receptor type 3O54814Ccr3Rattus norvegicus (Rat)359
447314C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
447313Probable C-C chemokine receptor type 3P51678Ccr3Mus musculus (Mouse)359

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