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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

NameCHEMBL590956
Molecular formulaC21H12FN2O7S-
IUPAC name1-amino-4-(2-carboxy-4-fluoroanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight455.392
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP3.1
SynonymsSodium 1-amino-4-[4-fluoro-2-carboxyphenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
BDBM50307835
Inchi KeyOBFSYBSKXOCXQH-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H13FN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1
PubChem CID91934095
ChEMBLN/A
IUPHARN/A
BindingDB50307835
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
236962P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
236960P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
236961P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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