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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

NameCHEMBL131691
Molecular formulaC24H27N3OS
IUPAC name1-(1-benzothiophen-3-yl)-3-[4-(1,2-dihydroquinolin-2-yl)piperazin-1-yl]propan-1-ol
Molecular weight405.56
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50118325
1-Benzo[b]thiophen-3-yl-3-[4-(1,2-dihydro-quinolin-2-yl)-piperazin-1-yl]-propan-1-ol
Inchi KeyOJOWITMTCTZCJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3OS/c28-22(20-17-29-23-8-4-2-6-19(20)23)11-12-26-13-15-27(16-14-26)24-10-9-18-5-1-3-7-21(18)25-24/h1-10,17,22,24-25,28H,11-16H2
PubChem CID44354158
ChEMBLCHEMBL131691
IUPHARN/A
BindingDB50118325
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
2429455-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2429465-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421

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