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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

NameMLS000037786
Molecular formulaC19H14N2O3S
IUPAC namemethyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
Molecular weight350.392
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL1583671
MLS002581557
372153-92-9
MCULE-6857384774
REGID_for_CID_658573
[ Show all ]
Inchi KeyACIZZXXGRGTORB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14N2O3S/c1-23-18(22)12-25-19-15(11-20)14(17-8-5-9-24-17)10-16(21-19)13-6-3-2-4-7-13/h2-10H,12H2,1H3
PubChem CID658573
ChEMBLCHEMBL1583671
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
1619Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
1618Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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