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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

NameCHEMBL3664770
Molecular formulaC27H26N2O3S
IUPAC name5-(benzenesulfonyl)-9-methyl-7-phenylmethoxy-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
Molecular weight458.576
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM104323
SCHEMBL12626720
US8575186, 86
Inchi KeyAAILAEIISVEDFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N2O3S/c1-29-24-14-19-12-13-23(28-19)26(24)22-15-21(33(30,31)20-10-6-3-7-11-20)16-25(27(22)29)32-17-18-8-4-2-5-9-18/h2-11,15-16,19,23,28H,12-14,17H2,1H3
PubChem CID58258851
ChEMBLCHEMBL3664770
IUPHARN/A
BindingDB104323
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
2285-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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