BDBM92470 2-Thioxanthine, TX5
SMILES: COCCn1c2nc[nH]c2c(=O)[nH]c1=S
InChI Key: InChIKey=VXTADZREIUKIHH-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Myeloperoxidase (MPO) (Homo sapiens (Human)) | BDBM92470 (2-Thioxanthine, TX5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | 7.4 | 21 |
AstraZeneca R&D | Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. | J Biol Chem 286: 37578-89 (2011) Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |