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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameAC1OBYQC
Molecular formulaC18H12BrN5OS
IUPAC name4-[(E)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Molecular weight426.292
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
Synonyms4-[(E)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CHEMBL3198000
MLS001033183
SMR000363704
Inchi KeyAJZBXIIATNETGK-SRZZPIQSSA-N
Inchi IDInChI=1S/C18H12BrN5OS/c19-14-6-2-1-5-13(14)16-9-8-12(25-16)11-21-24-17(22-23-18(24)26)15-7-3-4-10-20-15/h1-11H,(H,23,26)/b21-11+
PubChem CID6905987
ChEMBLCHEMBL3198000
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7350Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
7351Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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