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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

NameAC1NLSK4
Molecular formulaC24H27N3O4S2
IUPAC nameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
Molecular weight485.617
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.1
SynonymsMLS001078422
AKOS016847502
SMR000713271
HMS3010H14
MolPort-004-668-309
[ Show all ]
Inchi KeyAFDLEEVYRXNYLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O4S2/c1-3-26(19-12-13-33(30,31)16-19)22(28)15-32-24-25-21-7-5-4-6-20(21)23(29)27(24)14-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3
PubChem CID4989074
ChEMBLCHEMBL1436926
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
4055Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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