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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

NameGSK812397
Molecular formulaC24H32N6O
IUPAC name[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
Molecular weight420.561
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
Synonyms([5-(4-Methyl-1-piperazinyl)-2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)imidazo[1,2-a]pyridin-3-yl]methanol)
CXCR4 receptor antagonists (HIV-1 infection), GlaxoSmithKline
UNII-966F77521M
966F77521M
[5-(4-methylpiperazin-1-yl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
[ Show all ]
Inchi KeyQUDMHFVRKBVGBY-FQEVSTJZSA-N
Inchi IDInChI=1S/C24H32N6O/c1-27-12-14-29(15-13-27)23-10-4-9-22-26-19(21(17-31)30(22)23)16-28(2)20-8-3-6-18-7-5-11-25-24(18)20/h4-5,7,9-11,20,31H,3,6,8,12-17H2,1-2H3/t20-/m0/s1
PubChem CID11718722
ChEMBLCHEMBL1242210
IUPHARN/A
BindingDB50326057
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
286887C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352
286888C-X-C chemokine receptor type 4P70658Cxcr4Mus musculus (Mouse)359
286889C-X-C chemokine receptor type 4P79394CXCR4Macaca mulatta (Rhesus macaque)352

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