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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

NameCHEMBL3805558
Molecular formulaC18H14ClN3O3S
IUPAC name3-[5-[[3-(3-chlorophenyl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
Molecular weight387.838
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM50171871
Inchi KeyBFPHGTJOAXVIST-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14ClN3O3S/c19-13-5-1-3-11(9-13)12-4-2-6-14(10-12)20-17(25)18-22-21-15(26-18)7-8-16(23)24/h1-6,9-10H,7-8H2,(H,20,25)(H,23,24)
PubChem CID127048843
ChEMBLCHEMBL3805558
IUPHARN/A
BindingDB50171871
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
522223Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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