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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

NameCHEMBL3805246
Molecular formulaC20H19N3O4S
IUPAC name3-[4-[[5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methoxy]phenyl]propanoic acid
Molecular weight397.449
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50171875
Inchi KeyBBNPGAUNMABYSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N3O4S/c1-13-2-7-15(8-3-13)21-19(26)20-23-22-17(28-20)12-27-16-9-4-14(5-10-16)6-11-18(24)25/h2-5,7-10H,6,11-12H2,1H3,(H,21,26)(H,24,25)
PubChem CID127050771
ChEMBLCHEMBL3805246
IUPHARN/A
BindingDB50171875
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
522041Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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