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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

NameCHEMBL97938
Molecular formulaC14H16N4O2
IUPAC name6-nitro-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Molecular weight272.308
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50406161
Inchi KeyBAEMXMPFALLEEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N4O2/c19-18(20)17-6-5-16-9-14-12(7-10(16)8-17)11-3-1-2-4-13(11)15-14/h1-4,10,15H,5-9H2
PubChem CID44332031
ChEMBLCHEMBL97938
IUPHARN/A
BindingDB50406161
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
18778Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488

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