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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

NameCHEMBL550142
Molecular formulaC19H13Cl2N3OS
IUPAC name5-[8-[(3,5-dichloropyridin-4-yl)methoxy]-2-methylquinolin-4-yl]-1,3-thiazole
Molecular weight402.293
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50293873
SCHEMBL13145825
5-(8-((3,5-dichloropyridin-4-yl)methoxy)-2-methylquinolin-4-yl)thiazole
Inchi KeyBTMKNAFNOUAPOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13Cl2N3OS/c1-11-5-13(18-8-23-10-26-18)12-3-2-4-17(19(12)24-11)25-9-14-15(20)6-22-7-16(14)21/h2-8,10H,9H2,1H3
PubChem CID44189792
ChEMBLCHEMBL550142
IUPHARN/A
BindingDB50293873
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
32461B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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