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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

NameSMR000196863
Molecular formulaC13H9ClN2O3S2
IUPAC namemethyl 2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
Molecular weight340.796
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
SynonymsAKOS001057872
MCULE-1337041334
MLS000575827
CHEMBL1521044
methyl 2-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate
[ Show all ]
Inchi KeyAEALYBTZQMLFBC-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H9ClN2O3S2/c1-18-9(17)6-20-13-16-15-12(19-13)11-10(14)7-4-2-3-5-8(7)21-11/h2-5H,6H2,1H3
PubChem CID707664
ChEMBLCHEMBL1521044
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
3280Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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