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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

NameCHEMBL257495
Molecular formulaC21H15N2O6S-
IUPAC name1-amino-4-(2-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight423.419
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.5
Synonymssodium 1-amino-4-(2-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
L-144450
BDBM50336767
Inchi KeyWCRXWKFBJBYISN-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
PubChem CID59448190
ChEMBLN/A
IUPHARN/A
BindingDB50336767
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
370182P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
370183P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
370181P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
370184P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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