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Inhibitor Report for: Thioflavin-T

General
Type Quaternary compound, Benzothiazol, Sulfur Compound
Chemical_Nomenclature 2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-ol
Canonical SMILES C[N+]1=C(SC2=C1C=CC(=C2)O)C3=CC=C(C=C3)N(C)C
InChI InChI=1S/C16H16N2OS/c1-17(2)12-6-4-11(5-7-12)16-18(3)14-9-8-13(19)10-15(14)20-16/h4-10H,1-3H3/p+1
InChIKey NOVJJPLRUMZSDK-UHFFFAOYSA-O
Other name(s) 2-[4-(Dimethylamino)phenyl]-6-Hydroxy-3-Methyl-1,3-Benzothiazol-3-Ium ; DB08615 ; TFL ; Thioflavin T ; Basic yellow 1
________________________________________________________________________________________________
MW|285.38
Formula|C16H17N2OS+
CAS_number|2390-54-7
PubChem|24832019
UniChem|NOVJJPLRUMZSDK-UHFFFAOYSA-O
IUPHAR|
Wikipedia|Thioflavin

Target
Families | Thioflavin-T ligand of proteins in family: ACHE, BCHE
Stucture | 2 structures: 6ESY, 2J3Q
Protein | human-BCHE, torca-ACHE

References:
Search PubMed for references concerning: Thioflavin-T
    Title: Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study
    Rosenberry TL, Brazzolotto X, Macdonald IR, Wandhammer M, Trovaslet-Leroy M, Darvesh S, Nachon F
    Ref: Molecules, 22:, 2017 : PubMed

            

    Title: Crystal structure of thioflavin T bound to the peripheral site of Torpedo californica acetylcholinesterase reveals how thioflavin T acts as a sensitive fluorescent reporter of ligand binding to the acylation site
    Harel M, Sonoda LK, Silman I, Sussman JL, Rosenberry TL
    Ref: Journal of the American Chemical Society, 130:7856, 2008 : PubMed