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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

NameCHEMBL1642428
Molecular formulaC22H26ClN3O2S
IUPAC name6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
Molecular weight431.979
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
Synonyms6-chloro-1-(4-isopropylbenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
BDBM50334264
SCHEMBL5448011
Inchi KeyAJQQBSCDJFVVMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
PubChem CID23652922
ChEMBLCHEMBL1642428
IUPHARN/A
BindingDB50334264
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
71375-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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