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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

NameSCHEMBL1716701
Molecular formulaC24H25FN4O3
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-pyrimidin-2-ylphenyl]methanone
Molecular weight436.487
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM104696
US8569311, I-7
CHEMBL3655669
Inchi KeyNSZSJQFDRRSYLH-SJLPKXTDSA-N
Inchi IDInChI=1S/C24H25FN4O3/c1-16-3-4-18(15-32-22-8-6-19(25)12-28-22)13-29(16)24(31)21-11-17(14-30)5-7-20(21)23-26-9-2-10-27-23/h2,5-12,16,18,30H,3-4,13-15H2,1H3/t16-,18-/m1/s1
PubChem CID25124165
ChEMBLCHEMBL3655669
IUPHARN/A
BindingDB104696
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
231293Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
231294Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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