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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

Name1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate
Molecular formulaC14H7BrNO5S-
IUPAC name1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate
Molecular weight381.176
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsCHEMBL270415
AC1MZ8X6
AC1Q51AS
MolPort-002-360-631
BDBM50371704
[ Show all ]
Inchi KeyQZZSAWGVHXXMID-UHFFFAOYSA-M
Inchi IDInChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)/p-1
PubChem CID3844264
ChEMBLN/A
IUPHARN/A
BindingDB50371704
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
290978P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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