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Literature summary for 2.3.1.48 extracted from

  • Shrimp, J.H.; Sorum, A.W.; Garlick, J.M.; Guasch, L.; Nicklaus, M.C.; Meier, J.L.
    Characterizing the covalent targets of a small molecule inhibitor of the lysine acetyltransferase P300 (2016), ACS Med. Chem. Lett., 7, 151-155 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 2.3.1.48

Inhibitors

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/ Products (Substrates)

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

Organism UniProt Comment Textmining
Homo sapiens Q09472
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HEK-293 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
acetyl-CoA + [protein]-L-lysine
-
 Homo sapiens CoA + [protein]-N6-acetyl-L-lysine
-
 ?

Synonyms

Synonyms Comment Organism
KAT
-
 Homo sapiens
lysine acetyltransferase
-
 Homo sapiens
p300
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
acetyl-CoA
-
 Homo sapiens

IC50 Value

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