Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bifunctional ligase/repressor BirA (321/321 = 100%)† (Escherichia coli) | BDBM50039492 (CHEMBL1231498) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Adelaide Curated by ChEMBL | Assay Description Inhibition of Escherichia coli recombinant BPL using 3H-biotin as substrate after 10 mins by liquid scintillation counting analysis | ACS Med Chem Lett 6: 216-20 (2015) Article DOI: 10.1021/ml500475n BindingDB Entry DOI: 10.7270/Q2VT1TTQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bifunctional ligase/repressor BirA (321/321 = 100%)† (Escherichia coli) | BDBM50039492 (CHEMBL1231498) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
University of Nebraska-Lincoln Curated by ChEMBL | Assay Description Binding affinity to Escherichia coli biotin protein ligase | Bioorg Med Chem Lett 24: 5568-71 (2014) Article DOI: 10.1016/j.bmcl.2014.11.010 BindingDB Entry DOI: 10.7270/Q2W097KM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kJ/mole | -TΔS° kJ/mole | ΔH° kJ/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BirA Bifunctional Protein (321/321 = 100%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -49.4 | -7.94 | -41.4 | 8.83 | 7.5 | 20 | |
University of Maryland | Biochemistry 44: 3112-21 (2005) | |||||||||
BirA Bifunctional Protein (321/321 = 100%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -49.3 | -8.77 | -41.4 | 8.85 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V219A) (320/321 > 99%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -46.0 | 9.62 | -55.6 | 8.24 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V214A) (320/321 > 99%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -45.6 | 9.18 | -54.8 | 8.16 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (W223A) (320/321 > 99%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -41.8 | -8.56 | -33.4 | 7.41 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kJ/mole | -TΔS° kJ/mole | ΔH° kJ/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BirA Bifunctional Protein (321/321 = 100%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -49.4 | -7.94 | -41.4 | 8.83 | 7.5 | 20 | |
University of Maryland | Biochemistry 44: 3112-21 (2005) | |||||||||
BirA Bifunctional Protein (321/321 = 100%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -49.3 | -8.77 | -41.4 | 8.85 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V219A) (320/321 > 99%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -46.0 | 9.62 | -55.6 | 8.24 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (V214A) (320/321 > 99%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -45.6 | 9.18 | -54.8 | 8.16 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) | |||||||||
BirA Bifunctional Protein Mutant (W223A) (320/321 > 99%)† (Escherichia coli) | BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...) | GoogleScholar PDB | PC cid PC sid PDB | -41.8 | -8.56 | -33.4 | 7.41 | 7.5 | 20 | |
University of Maryland College Park | J Mol Biol 373: 96-111 (2007) |