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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

NameSCHEMBL1716975
Molecular formulaC22H24FN5O3
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone
Molecular weight425.464
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsUS8569311, G-1
CHEMBL3655667
BDBM104694
Inchi KeySGRJQSJLOQZHRN-NVXWUHKLSA-N
Inchi IDInChI=1S/C22H24FN5O3/c1-15-2-3-17(14-31-21-7-5-18(23)11-24-21)12-27(15)22(30)19-10-16(13-29)4-6-20(19)28-25-8-9-26-28/h4-11,15,17,29H,2-3,12-14H2,1H3/t15-,17-/m1/s1
PubChem CID59396056
ChEMBLCHEMBL3655667
IUPHARN/A
BindingDB104694
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
313881Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
313882Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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