BDBM31914 4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one::5-fluorocytidine::FLUC
SMILES: Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Key: InChIKey=STRZQWQNZQMHQR-UAKXSSHOSA-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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2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) (Escherichia coli (strain K12)) | BDBM31914 (4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 2.02E+6 | n/a | n/a | n/a | 7.0 | 10 |
University of Dundee | Assay Description An SPR assay was used to determine the binding affinities of compounds. Experiments were performed on a Biacore 3000 (Biacore, Uppsala, Sweden) instr... | J Med Chem 52: 2531-42 (2009) Article DOI: 10.1021/jm801475n BindingDB Entry DOI: 10.7270/Q23B5XGB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |