BDBM50119454 CHEMBL3140272
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NS(=O)(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@]1([H])NC(=O)N2
InChI Key: InChIKey=RSZBCKJLQVSFKT-RHCAYAJFSA-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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BirA bifunctional protein (Mycobacterium tuberculosis (strain CDC 1551 / Oshk...) | BDBM50119454![]() (CHEMBL3140272) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 0.865 | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv Biotin protein ligase expressed in Escherichia coli by ITC analysis | J Med Chem 58: 7349-69 (2015) Article DOI: 10.1021/acs.jmedchem.5b00719 BindingDB Entry DOI: 10.7270/Q21J9CMG | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |