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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

NameCHEMBL1083554
Molecular formulaC74H74F60N10P10
IUPAC name1-[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]-4-[1-[3,5-bis[[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium;decahexafluorophosphate
Molecular weight2553.12
Hydrogen bond acceptor70
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyKXECIWFKZNUDQO-UHFFFAOYSA-N
Inchi IDInChI=1S/C74H74N10.10F6P/c1-5-75-29-9-63(10-30-75)67-17-37-79(38-18-67)55-59-49-60(56-80-39-19-68(20-40-80)64-11-31-76(6-2)32-12-64)52-73(51-59)83-45-25-71(26-46-83)72-27-47-84(48-28-72)74-53-61(57-81-41-21-69(22-42-81)65-13-33-77(7-3)34-14-65)50-62(54-74)58-82-43-23-70(24-44-82)66-15-35-78(8-4)36-16-66;10*1-7(2,3,4,5)6/h9-54H,5-8,55-58H2,1-4H3;;;;;;;;;;/q+10;10*-1
PubChem CID46222002
ChEMBLCHEMBL1083554
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
180408C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352
180409C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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