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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

NameCHEMBL3664787
Molecular formulaC24H25N3O2S
IUPAC name5-(1-ethylindol-3-yl)sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
Molecular weight419.543
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.2
SynonymsSCHEMBL12626777
US8575186, 109
BDBM104346
Inchi KeyAGCNVMQBGLWVOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3O2S/c1-3-27-14-23(17-6-4-5-7-21(17)27)30(28,29)16-9-11-20-18(13-16)24-19-10-8-15(25-19)12-22(24)26(20)2/h4-7,9,11,13-15,19,25H,3,8,10,12H2,1-2H3
PubChem CID58258808
ChEMBLCHEMBL3664787
IUPHARN/A
BindingDB104346
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
47655-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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