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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameMLS001013428
Molecular formulaC16H15BrN3+
IUPAC name5-bromo-1-[(6-methylquinolin-8-yl)methyl]pyridin-1-ium-2-amine
Molecular weight329.221
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.6
SynonymsSMR000353420
AC1M4MCJ
CHEMBL1626478
BDBM62123
cid_16196242
[ Show all ]
Inchi KeyFIDZWKWAWKZZKG-UHFFFAOYSA-O
Inchi IDInChI=1S/C16H14BrN3/c1-11-7-12-3-2-6-19-16(12)13(8-11)9-20-10-14(17)4-5-15(20)18/h2-8,10,18H,9H2,1H3/p+1
PubChem CID2310853
ChEMBLN/A
IUPHARN/A
BindingDB62123
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
78947Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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