Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase
LigandBDBM50134795
Substrate/Competitorn/a
Meas. Tech.ChEMBL_532345 (CHEMBL973268)
IC50 2500±n/a nM
Citation Ragno, RSimeoni, SRotili, DCaroli, ABotta, GBrosch, GMassa, SMai, A Class II-selective histone deacetylase inhibitors. Part 2: alignment-independent GRIND 3-D QSAR, homology and docking studies. Eur J Med Chem43:621-32 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase
Name:Histone deacetylase
Synonyms:Histone deacetylase HD1B
Type:PROTEIN
Mol. Mass.:50930.01
Organism:Zea mays
Description:ChEMBL_422128
Residue:458
Sequence:
MAASGEGVSLPSPAGGEDAHRRRVSYFYEPSIGDYYYGQGHPMKPHRIRMAHSLVVHYGL
HRLLELSRPYPASEADIRRFHSDDYVAFLASATGNPGVLDPRAIKRFNVGEDCPVFDGLF
PFCQASAGGSIGAAVKLNRGDADITVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKFH
RRVLYVDIDVHHGDGVEEAFFTTNRVMTVSFHKYGDFFPGTGHITDVGAAEGKHYALNVP
LSDGIDDTTFRGLFQCIIKKVMEVYQPDVVVLQCGADSLAGDRLGCFNLSVKGHADCLRF
LRSYNVPMMVLGGGGYTIRNVARCWCYETAVAVGVEPDNKLPYNDYYEYFGPDYTLHIQP
KSVENLNTTKDLENIKNMILENLSKIEHVPSTQFHDRPSDPEAPEEKEEDMDKRPPQRSR
LWSGGAYDSDTEDPDSLKSEGKDVTANFQMKDEPKDDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50134795
n/a
NameBDBM50134795
Synonyms:(E)-N-Hydroxy-3-[1-methyl-4-((E)-3-oxo-3-m-tolyl-propenyl)-1H-pyrrol-2-yl]-acrylamide | (E)-N-Hydroxy-3-[1-methyl-4-(3-oxo-3-m-tolyl-propenyl)-1H-pyrrol-2-yl]-acrylamide | CHEMBL415533 | N-hydroxy-3-(1-methyl-4-(3-oxo-3-m-tolylprop-1-enyl)-1H-pyrrol-2-yl)acrylamide
TypeSmall organic molecule
Emp. Form.C18H18N2O3
Mol. Mass.310.3471
SMILESCc1cccc(c1)C(=O)\C=C\c1cc(\C=C\C(=O)NO)n(C)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: