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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

NameCID 44433197
Molecular formulaC18H20ClN5O2S2
IUPAC name6-chloro-5-[1-(1-methylpiperidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
Molecular weight437.961
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsN/A
Inchi KeyAGURDUIHGPJRCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20ClN5O2S2/c1-22-7-3-4-12(10-22)24-11-14(13-5-2-6-20-16(13)24)28(25,26)17-15(19)21-18-23(17)8-9-27-18/h2,5-6,8-9,11-12,18,21H,3-4,7,10H2,1H3
PubChem CID44433197
ChEMBLCHEMBL236313
IUPHARN/A
BindingDBN/A
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
52265-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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