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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

NameSCHEMBL6925318
Molecular formulaC21H22N2O3S
IUPAC name5-(3-methoxyphenyl)sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
Molecular weight382.478
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM104278
US8575186, 41
CHEMBL3664734
Inchi KeyADFGBBCROKWRPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O3S/c1-23-19-9-7-16(27(24,25)15-5-3-4-14(11-15)26-2)12-17(19)21-18-8-6-13(22-18)10-20(21)23/h3-5,7,9,11-13,18,22H,6,8,10H2,1-2H3
PubChem CID52913222
ChEMBLCHEMBL3664734
IUPHARN/A
BindingDB104278
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
22205-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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