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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

NameMLS000390273
Molecular formulaC12H15N3O2S
IUPAC name1-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-methylthiourea
Molecular weight265.331
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.5
SynonymsSR-01000036467
SR-01000036467-1
CHEMBL3195466
SMR000259537
AKOS000977747
[ Show all ]
Inchi KeyAGYXVVAWOLWCCE-RIYZIHGNSA-N
Inchi IDInChI=1S/C12H15N3O2S/c1-8(14-15-12(18)13-2)9-3-4-10-11(7-9)17-6-5-16-10/h3-4,7H,5-6H2,1-2H3,(H2,13,15,18)/b14-8+
PubChem CID9688881
ChEMBLCHEMBL3195466
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
5348Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463523Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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