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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

NameBDBM50268574
Molecular formulaC24H15N2O5S-
IUPAC name1-amino-4-(naphthalen-1-ylamino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight443.453
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.7
SynonymsSodium 1-Amino-4-(1-naphthylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Sodium 1-amino-4-[1-naphthylamino]-9,10-dioxo-9,10 dihydroanthracene-2-sulfonate
Inchi KeyZHQRPIRGSWEALJ-UHFFFAOYSA-M
Inchi IDInChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1
PubChem CID24868314
ChEMBLN/A
IUPHARN/A
BindingDB50268574
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
428755P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
428754P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
428753P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
428752P2Y purinoceptor 6Q63371P2ry6Rattus norvegicus (Rat)328

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