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Ligand

NameCHEMBL3322509
Molecular formulaC24H18N2O7S
IUPAC name2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butyl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid
Molecular weight478.475
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.8
SynonymsSCHEMBL15485311
BDBM50056342
GTDWBWPQKMNPCR-UHFFFAOYSA-N
2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butyl)-3-oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide
Inchi KeyGTDWBWPQKMNPCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H18N2O7S/c27-21-17-7-3-5-14-6-4-8-18(20(14)17)22(28)25(21)11-1-2-12-26-23(29)16-10-9-15(24(30)31)13-19(16)34(26,32)33/h3-10,13H,1-2,11-12H2,(H,30,31)
PubChem CID73296091
ChEMBLCHEMBL3322509
IUPHARN/A
BindingDB50056342
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
445833Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351

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