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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

NameSCHEMBL1717515
Molecular formulaC23H25FN4O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(1H-pyrazol-4-yl)phenyl]methanone
Molecular weight408.477
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsUS8569311, 1-21
CHEMBL3655676
BDBM104703
Inchi KeyHZMUAGSAWQJPQK-IAGOWNOFSA-N
Inchi IDInChI=1S/C23H25FN4O2/c1-15-3-7-20(18-10-26-27-11-18)21(9-15)23(29)28-13-17(5-4-16(28)2)14-30-22-8-6-19(24)12-25-22/h3,6-12,16-17H,4-5,13-14H2,1-2H3,(H,26,27)/t16-,17-/m1/s1
PubChem CID25126520
ChEMBLCHEMBL3655676
IUPHARN/A
BindingDB104703
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
127829Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
127828Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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