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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

NameCHEMBL3719033
Molecular formulaC22H19N5O4S
IUPAC name6-[4-[(2-cyclopropylpyrimidin-4-yl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
Molecular weight449.485
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM286484
SCHEMBL16675868
US9518064, Example 103
Inchi KeyCDLOSHLDDSCHKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19N5O4S/c1-28-14-7-17(30-11-13-5-6-23-20(24-13)12-3-4-12)15-9-19(31-18(15)8-14)16-10-27-21(25-16)32-22(26-27)29-2/h5-10,12H,3-4,11H2,1-2H3
PubChem CID72192420
ChEMBLCHEMBL3719033
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
522717Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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