BDBM154571 4-Methylthio 2-oxobutyric acid (MTOB)
SMILES: CSCCC(=O)C(O)=O
InChI Key: InChIKey=SXFSQZDSUWACKX-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human)) | BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 2.96E+6 | n/a | n/a | n/a | 8.5 | n/a |
University of Massachusetts Medical School | Assay Description Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ... | ACS Chem Biol 10: 1118-27 (2015) Article DOI: 10.1021/cb500820b BindingDB Entry DOI: 10.7270/Q2416VTK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
C-terminal-binding protein 2 (Homo sapiens (Human)) | BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) dehydrogenase activity expressed in Escherichia coli BL21-Codonplus... | Bioorg Med Chem 24: 2707-15 (2016) BindingDB Entry DOI: 10.7270/Q28P62FX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human)) | BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.26E+6 | n/a | n/a | n/a | 7.5 | n/a |
University of Massachusetts Medical School | Assay Description Purified CtBP2 was dialyzed overnight against 500 mL of 50 mM glycylglycine at pH 8.5, 300 mM NaCl, 1 mM EDTA, and 2 mM TCEP, with or without 1.5 mM ... | ACS Chem Biol 10: 1118-27 (2015) Article DOI: 10.1021/cb500820b BindingDB Entry DOI: 10.7270/Q2416VTK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
C-terminal-binding protein 2 (CtBP2) (Homo sapiens (Human)) | BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) | GoogleScholar PDB | DrugBank KEGG PC cid PC sid PDB | -3.34 | n/a | -3.34 | 2.49 | 8.5 | 20 | |
University of Massachusetts Medical School | ACS Chem Biol 10: 1118-27 (2015) | |||||||||
C-terminal-binding protein 1 (CtBP1) (Homo sapiens (Human)) | BDBM154571 (4-Methylthio 2-oxobutyric acid (MTOB)) | GoogleScholar PDB | DrugBank KEGG PC cid PC sid PDB | -3.82 | 7.70 | -11.3 | 2.85 | 7.5 | 20 | |
University of Massachusetts Medical School | ACS Chem Biol 10: 1118-27 (2015) |