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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

NameSMR000078129
Molecular formulaC15H15F3N2O2S
IUPAC nameethyl 3-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]propanoate
Molecular weight344.352
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.2
SynonymsAC1MGJA4
ethyl 3-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]thio}propanoate
CHEMBL1599779
MCULE-8125554747
ZINC4058282
[ Show all ]
Inchi KeyACJJLTJHFPFIQK-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H15F3N2O2S/c1-2-22-12(21)6-7-23-14-10(8-19)13(15(16,17)18)9-4-3-5-11(9)20-14/h2-7H2,1H3
PubChem CID2961898
ChEMBLCHEMBL1599779
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1627Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
1626Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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