BDBM92474 Sulfonamide, 5
SMILES: COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)N1c2ccccc2Oc2ccccc12
InChI Key: InChIKey=HXWWKCKINGLXEB-UHFFFAOYSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bifunctional protein (GlmU) (Escherichia coli) | BDBM92474![]() (Sulfonamide, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) | ||||||||||||
Bifunctional protein (GlmU) (Haemophilus influenzae) | BDBM92474![]() (Sulfonamide, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional protein (GlmU) (Escherichia coli) | BDBM92474![]() (Sulfonamide, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate | Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) | ||||||||||||
Bifunctional protein (GlmU) (Staphylococcus aureus) | BDBM92474![]() (Sulfonamide, 5) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional protein (GlmU) (Escherichia coli) | BDBM92474![]() (Sulfonamide, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GlmU acetyltransferase activity assessed as coenzyme A production using acetyl CoA substrate | Eur J Med Chem 92: 78-90 (2015) Article DOI: 10.1016/j.ejmech.2014.12.030 BindingDB Entry DOI: 10.7270/Q2RJ4M55 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (docked) | ||||||||||||
Bifunctional protein (GlmU) (Streptococcus pneumoniae) | BDBM92474![]() (Sulfonamide, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | 7.35 | n/a |
AstraZeneca | Assay Description Inhibition assay using GlmU bifuncation enzyme with various bacterial strains. | J Biol Chem 286: 40734-42 (2011) Article DOI: 10.1074/jbc.M111.274068 BindingDB Entry DOI: 10.7270/Q2BP01DD | |||||||||||
More data for this Ligand-Target Pair |