BDBM50336514 (S)-Iclaprim::CHEMBL1673303
SMILES: COc1cc(Cc2cnc(N)nc2N)c2C=C[C@@H](Oc2c1OC)C1CC1
InChI Key: InChIKey=HWJPWWYTGBZDEG-CQSZACIVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate Reductase (DHFR) (Staphylococcus aureus) | BDBM50336514 ((S)-Iclaprim | CHEMBL1673303) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 2.40 | 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) |