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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

NameCHEMBL445413
Molecular formulaC21H15N2O5S-
IUPAC name1-amino-4-(3-methylanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight407.42
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.9
Synonymssodium 1-amino-9,10-dioxo-4-(m-tolylamino)-9,10-dihydroanthracene-2-sulfonate
BDBM50336787
sodium 4-(m-toluidino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Inchi KeyAYMOWRNYHLSUHI-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
PubChem CID91932498
ChEMBLN/A
IUPHARN/A
BindingDB50336787
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17593P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
17590P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
17591P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
17592P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
17594P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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