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Ligand

NameCHEMBL401859
Molecular formulaC26H18N3O5S-
IUPAC name1-amino-4-(4-anilinoanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight484.506
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50227016
Sodium 1-amino-4-(4-anilinophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
sodium 1-amino-9,10-dioxo-4-(4-(phenylamino)phenylamino)-9,10-dihydroanthracene-2-sulfonate
Inchi KeySLKPUOMONGLJQP-UHFFFAOYSA-M
Inchi IDInChI=1S/C26H19N3O5S/c27-24-21(35(32,33)34)14-20(22-23(24)26(31)19-9-5-4-8-18(19)25(22)30)29-17-12-10-16(11-13-17)28-15-6-2-1-3-7-15/h1-14,28-29H,27H2,(H,32,33,34)/p-1
PubChem CID91935664
ChEMBLN/A
IUPHARN/A
BindingDB50227016
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
317275P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
317274P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
317276P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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