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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

NameCHEMBL1829483
Molecular formulaC19H22N4O2
IUPAC name2-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5-(6-oxo-1H-pyridazin-3-yl)benzonitrile
Molecular weight338.411
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50353178
SCHEMBL1375223
Inchi KeyAFEMXVRMEKINAU-CQSZACIVSA-N
Inchi IDInChI=1S/C19H22N4O2/c1-14-4-2-9-23(14)10-3-11-25-18-7-5-15(12-16(18)13-20)17-6-8-19(24)22-21-17/h5-8,12,14H,2-4,9-11H2,1H3,(H,22,24)/t14-/m1/s1
PubChem CID56670466
ChEMBLCHEMBL1829483
IUPHARN/A
BindingDB50353178
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
4091Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
4092Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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