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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

NameCHEMBL3580924
Molecular formulaC14H16N4OS
IUPAC name4-ethyl-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Molecular weight288.369
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM50096969
Inchi KeyCDVYKIKHQZXGIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N4OS/c1-3-18-13(16-17-14(18)20)6-9-8-15-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,17,20)
PubChem CID86272984
ChEMBLCHEMBL3580924
IUPHARN/A
BindingDB50096969
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
467792Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
467791Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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