BDBM50336513 (R)-Iclaprim::5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine::CHEMBL1236788
SMILES: COc1cc(Cc2cnc(N)nc2N)c2C=C[C@H](Oc2c1OC)C1CC1
InChI Key: InChIKey=HWJPWWYTGBZDEG-AWEZNQCLSA-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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Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM50336513 ((R)-Iclaprim | 5-[[(2R)-2-cyclopropyl-7,8-dimethox...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Oklahoma State University Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus wild type recombinant DHFR by MTS assay | Antimicrob Agents Chemother 54: 3825-33 (2010) Article DOI: 10.1128/AAC.00361-10 BindingDB Entry DOI: 10.7270/Q25M6604 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |