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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

NameCHEMBL3605520
Molecular formulaC18H20ClN3O3S
IUPAC name4-chloro-N-[(1R)-1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
Molecular weight393.886
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50114002
SCHEMBL13497596
Inchi KeyAFCBFUKNQZGESW-GFCCVEGCSA-N
Inchi IDInChI=1S/C18H20ClN3O3S/c1-3-22-17-10-13(11-23)4-9-16(17)20-18(22)12(2)21-26(24,25)15-7-5-14(19)6-8-15/h4-10,12,21,23H,3,11H2,1-2H3/t12-/m1/s1
PubChem CID59177207
ChEMBLCHEMBL3605520
IUPHARN/A
BindingDB50114002
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
463374Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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