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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

NameMLS000109191
Molecular formulaC21H15N5O2S
IUPAC name2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]isoindole-1,3-dione
Molecular weight401.444
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsSMR000105137
2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]isoindole-1,3-dione
AC1MEC8E
CBMicro_037185
Oprea1_225880
[ Show all ]
Inchi KeyABYATXRNYMANLA-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15N5O2S/c1-2-11-25-16-10-6-5-9-15(16)17-18(25)22-21(24-23-17)29-12-26-19(27)13-7-3-4-8-14(13)20(26)28/h2-10H,1,11-12H2
PubChem CID2876123
ChEMBLCHEMBL1345233
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1301Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
1302Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
463115Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
1303Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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