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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

NameCHEMBL402239
Molecular formulaC22H17N2NaO5S
IUPAC namesodium;1-amino-4-(2,3-dimethylanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight444.437
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyZMXRETZYSNXXLP-UHFFFAOYSA-M
Inchi IDInChI=1S/C22H18N2O5S.Na/c1-11-6-5-9-15(12(11)2)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-7-3-4-8-14(13)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1
PubChem CID44456165
ChEMBLCHEMBL402239
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
432541P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
432542P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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