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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

NameCHEMBL2086689
Molecular formulaC20H19FN8O
IUPAC name4-[[2-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
Molecular weight406.425
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP1.5
SynonymsBDBM50420837
SCHEMBL1448043
Inchi KeyAMHHRGZLTPMKNL-CQSZACIVSA-N
Inchi IDInChI=1S/C20H19FN8O/c1-14-12-28(19-24-8-17(21)9-25-19)4-5-29(14)20-26-10-18(11-27-20)30-13-15-2-3-23-7-16(15)6-22/h2-3,7-11,14H,4-5,12-13H2,1H3/t14-/m1/s1
PubChem CID51030056
ChEMBLCHEMBL2086689
IUPHARN/A
BindingDB50420837
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
8885Glucose-dependent insulinotropic receptorQ7TQP3Gpr119Mus musculus (Mouse)335
8886Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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