Inhibitors | Comment | Organism | Structure |
---|---|---|---|
4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-N-(prop-2-yn-1-yl)benzamide | i.e. C646-yne, docking study and protein interaction analysis, formation of a stable C646-cysteine adducts. The major targets of C646-yne reactivity are abundant cellular proteins containing reactive cysteine residues | Homo sapiens | |
4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid | i.e. C646, inhibits the lysine acetyltransferases (KATs) p300 and CBP and represents a very potent and selective small molecule KAT inhibitor, docking study and protein interaction analysis. The pyrazolone-furan of C646 is an electrophilic chemotype capable of irreversible protein reactivity | Homo sapiens | |
additional information | docking of C646 and C646-yne to a structure of p300 (PDB: 3BIY) suggests the two molecules can adopt a similar conformation in the KAT active site | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
acetyl-CoA + [protein]-L-lysine | Homo sapiens | - |
CoA + [protein]-N6-acetyl-L-lysine | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | Q09472 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
HEK-293 cell | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
acetyl-CoA + [protein]-L-lysine | - |
Homo sapiens | CoA + [protein]-N6-acetyl-L-lysine | - |
? |
Synonyms | Comment | Organism |
---|---|---|
KAT | - |
Homo sapiens |
lysine acetyltransferase | - |
Homo sapiens |
p300 | - |
Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
acetyl-CoA | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0068 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid | |
0.0141 | - |
pH and temperature not specified in the publication | Homo sapiens | 4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-N-(prop-2-yn-1-yl)benzamide |