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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

NameCHEMBL3605529
Molecular formulaC16H17ClN4O2S
IUPAC name4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
Molecular weight364.848
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50114059
N-(1-(1-Ethyl-1H-imidazo[4,5-b]pyridine-2-yl)ethyl)-4-chlorobenzenesulfonamide
SCHEMBL3449569
Inchi KeyAGTWTNALRMIKJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17ClN4O2S/c1-3-21-14-5-4-10-18-15(14)19-16(21)11(2)20-24(22,23)13-8-6-12(17)7-9-13/h4-11,20H,3H2,1-2H3
PubChem CID59177064
ChEMBLCHEMBL3605529
IUPHARN/A
BindingDB50114059
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
463509Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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