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Ligand

NameCHEMBL404659
Molecular formulaC20H12N3O7S-
IUPAC name1-amino-4-(3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight438.39
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.3
Synonymssodium 1-amino-4-(3-nitrophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
BDBM50227018
Inchi KeyBFYKRGJJESUQPP-UHFFFAOYSA-M
Inchi IDInChI=1S/C20H13N3O7S/c21-18-15(31(28,29)30)9-14(22-10-4-3-5-11(8-10)23(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24/h1-9,22H,21H2,(H,28,29,30)/p-1
PubChem CID91935665
ChEMBLN/A
IUPHARN/A
BindingDB50227018
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
22747P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
22746P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
22748P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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