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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

NameCHEMBL3731418
Molecular formulaC21H16FN3O2S
IUPAC name2-(1-fluoroethyl)-6-(6-phenylmethoxy-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
Molecular weight393.436
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.0
SynonymsSCHEMBL16708163
Inchi KeyAPCVABPTTCXMIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16FN3O2S/c1-13(22)20-24-25-11-17(23-21(25)28-20)19-9-15-7-8-16(10-18(15)27-19)26-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3
PubChem CID118068584
ChEMBLCHEMBL3731418
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
521743Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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