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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

NameSCHEMBL1614465
Molecular formulaC23H31N3O5S
IUPAC name3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-methoxy-N-(oxolan-3-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine
Molecular weight461.577
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL3664551
BDBM101653
US8530504, 14
Inchi KeyBEKKKBHJDOWLJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O5S/c1-6-8-25(16-7-9-31-13-16)21-22(30-5)24-26-17(14-32-23(21)26)20-18(28-3)10-15(12-27-2)11-19(20)29-4/h10-11,14,16H,6-9,12-13H2,1-5H3
PubChem CID58223415
ChEMBLCHEMBL3664551
IUPHARN/A
BindingDB101653
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
21644Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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