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Ligand

NameCHEMBL271688
Molecular formulaC22H16N3O6S-
IUPAC name4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
Molecular weight450.445
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.7
SynonymsAC1NEQHR
sodium 4-(4-acetamidophenylamino)-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
BDBM50227015
4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonate
Sodium 1-amino-4-(4-acetylaminophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Inchi KeyCKDSSRXGNPFPPZ-UHFFFAOYSA-M
Inchi IDInChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)/p-1
PubChem CID4596413
ChEMBLN/A
IUPHARN/A
BindingDB50227015
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
43947P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
43948P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
43949P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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