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Ligand

Name325850-81-5
Molecular formulaC22H17NO4S
IUPAC name2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
Molecular weight391.441
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
Synonyms2-((3-(1,3-Dioxo-(1H)benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic Acid
2-((3-(1,3-Dioxo-1H-benz(de)isoquinolin-2(3H)-yl)propyl)thio)benzoic acid
2-((3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)thio)benzoic acid
2-[3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propylsulfanyl]-benzoic acid
2-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
[ Show all ]
Inchi KeyGMVZUCHUOYUMLL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
PubChem CID3114900
ChEMBLCHEMBL3322500
IUPHARN/A
BindingDB50056345
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
445646Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
445645Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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