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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

NameBDBM50227019
Molecular formulaC20H12ClN2O5S-
IUPAC name1-amino-4-(4-chloroanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight427.835
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
Synonymssodium 1-amino-4-(4-chlorophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Inchi KeyMHSMKEQLFFWYOS-UHFFFAOYSA-M
Inchi IDInChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
PubChem CID24868312
ChEMBLN/A
IUPHARN/A
BindingDB50227019
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
205778P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
205777P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
205779P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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