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Target
Histone deacetylase
Ligand
BDBM50166166
Substrate
n/a
Meas. Tech.
ChEMBL_532345 (CHEMBL973268)
IC50
298000±n/a nM
Citation
 Ragno, R; Simeoni, S; Rotili, D; Caroli, A; Botta, G; Brosch, G; Massa, S; Mai, A Class II-selective histone deacetylase inhibitors. Part 2: alignment-independent GRIND 3-D QSAR, homology and docking studies. Eur J Med Chem 43:621-32 (2008) [PubMed]  Article 
Target
Name:
Histone deacetylase
Synonyms:
Histone deacetylase HD1B
Type:
PROTEIN
Mol. Mass.:
50930.01
Organism:
Zea mays
Description:
ChEMBL_422128
Residue:
458
Sequence:
MAASGEGVSLPSPAGGEDAHRRRVSYFYEPSIGDYYYGQGHPMKPHRIRMAHSLVVHYGLHRLLELSRPYPASEADIRRFHSDDYVAFLASATGNPGVLDPRAIKRFNVGEDCPVFDGLFPFCQASAGGSIGAAVKLNRGDADITVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKFHRRVLYVDIDVHHGDGVEEAFFTTNRVMTVSFHKYGDFFPGTGHITDVGAAEGKHYALNVPLSDGIDDTTFRGLFQCIIKKVMEVYQPDVVVLQCGADSLAGDRLGCFNLSVKGHADCLRFLRSYNVPMMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNDYYEYFGPDYTLHIQPKSVENLNTTKDLENIKNMILENLSKIEHVPSTQFHDRPSDPEAPEEKEEDMDKRPPQRSRLWSGGAYDSDTEDPDSLKSEGKDVTANFQMKDEPKDDL
  
Inhibitor
Name:
BDBM50166166
Synonyms:
(E)-N-Hydroxy-3-{1-methyl-4-[3-oxo-3-(3-trifluoromethoxy-phenyl)-propenyl]-1H-pyrrol-2-yl}-acrylamide | (E)-N-hydroxy-3-(1-methyl-4-((E)-3-oxo-3-(3-(trifluoromethoxy)phenyl)prop-1-enyl)-1H-pyrrol-2-yl)acrylamide | CHEMBL192557
Type:
Small organic molecule
Emp. Form.:
C18H15F3N2O4
Mol. Mass.:
380.3179
SMILES:
Cn1cc(\C=C\C(=O)c2cccc(OC(F)(F)F)c2)cc1\C=C\C(=O)NO
Structure:
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