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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

NameSCHEMBL1716390
Molecular formulaC22H24FN5O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight409.465
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsUS8569311, A-9
CHEMBL3235249
BDBM104689
Inchi KeySWJLISCOLSUHGG-IAGOWNOFSA-N
Inchi IDInChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
PubChem CID25127493
ChEMBLCHEMBL3235249
IUPHARN/A
BindingDB104689
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
324937Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
324938Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
324935Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
324936Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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