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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

NameCHEMBL1553510
Molecular formulaC23H27N3O3S2
IUPAC name11-acetyl-4-(4-methoxyphenyl)-5-pentylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Molecular weight457.607
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.5
SynonymsC200-3681
HMS1815A05
NCGC00105185-01
AKOS001771120
Inchi KeyAFIMJPDFPNLHEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O3S2/c1-4-5-6-13-30-23-24-21-20(18-11-12-25(15(2)27)14-19(18)31-21)22(28)26(23)16-7-9-17(29-3)10-8-16/h7-10H,4-6,11-14H2,1-3H3
PubChem CID15988356
ChEMBLCHEMBL1553510
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463397Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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