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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

NameGSK334429
Molecular formulaC20H29F3N4O
IUPAC name(4-propan-2-yl-1,4-diazepan-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]methanone
Molecular weight398.474
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.8
SynonymsGTPL9103
ZINC6717744
GSK-334429
L023428
CHEMBL2151157
[ Show all ]
Inchi KeyAHHPKVQYHXNBQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29F3N4O/c1-15(2)25-8-3-9-27(13-12-25)19(28)16-6-10-26(11-7-16)17-4-5-18(24-14-17)20(21,22)23/h4-5,14-16H,3,6-13H2,1-2H3
PubChem CID11452311
ChEMBLCHEMBL2151157
IUPHAR9103
BindingDB50392759
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
5557Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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