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Ligand

NameCHEMBL115131
Molecular formulaC19H33NO3S
IUPAC name3-amino-5-(4-octylphenyl)pentane-1-sulfonic acid
Molecular weight355.537
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsSCHEMBL5472113
BDBM50147705
3-Amino-5-(4-octyl-phenyl)-pentane-1-sulfonic acid
Inchi KeyATISRFOLHJLTMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H33NO3S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20)15-16-24(21,22)23/h9-12,19H,2-8,13-16,20H2,1H3,(H,21,22,23)
PubChem CID10309022
ChEMBLCHEMBL115131
IUPHARN/A
BindingDB50147705
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13989Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
13990Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353
13988Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
13991Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384

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