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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL543613
Molecular formulaC22H24ClFN2O2S
IUPAC name5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one;hydrochloride
Molecular weight434.954
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyAJXGNDVBZXEHDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23FN2O2S.ClH/c23-16-2-3-17-19(13-16)27-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-20-18(22(15)26)8-12-28-20;/h2-3,8,12-15H,1,4-7,9-11H2;1H
PubChem CID45261121
ChEMBLCHEMBL543613
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
73135-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
73155-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
7314D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
7316D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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