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Reaction Details
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TargetHistone deacetylase
LigandBDBM50366750
Substrate/Competitorn/a
Meas. Tech.ChEBML_79059
Ki>1000±n/a nM
Citation Colletti, SLMyers, RWDarkin-Rattray, SJGurnett, AMDulski, PMGaluska, SAllocco, JJAyer, MBLi, CLim, JCrumley, TMCannova, CSchmatz, DMWyvratt, MJFisher, MHMeinke, PT Broad spectrum antiprotozoal agents that inhibit histone deacetylase: structure-activity relationships of apicidin. Part 2. Bioorg Med Chem Lett11:113-7 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase
Name:Histone deacetylase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:48692.87
Organism:Cryptosporidium parvum
Description:ChEMBL_87390
Residue:432
Sequence:
MGAKKKIAYFYDEEVGNFHYGLGHPMKPHRVRMTHDLVSQYGLLEKVDVMVPTPGTVESL
TRFHSNDYVDFLRSVNTDNMHDYSDHLARFNVGEDCPVFDGLWEFCQLSAGGSLGGAQSV
NELGYQYAINWAGGLHHGKKHEASGFCYVNDCVLGALEFLKYQHRVCYVDIDIHHGDGVE
EAFYTSPRCMCVSFHKYGDYFPGTGALNDVGVEEGLGYSVNVPLKDGVDDATFIDLFTKV
MTLVMENYRPGAIVLQCGADSLSGDRLGCFNLSLKGHGHAVSFLKKFNVPLLILGGGGYT
LRNVPKCWTYETSLIVDTYIDEQLPNSSNFYGYYGPDFSLAVRTSNMENLNSRQDCEEIY
RKISENFRDYVFPIGSQISAYDIPEKLPLLYNPNKTPDDYKDGNNIKHEQHQDFDDEMKE
WPTVDYNNRAIG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50366750
n/a
NameBDBM50366750
Synonyms:CHEMBL1793987
TypeSmall organic molecule
Emp. Form.C36H62N4O6
Mol. Mass.646.9007
SMILESCCCCCCCCCCC(=O)C[C@@H]1NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC1=O)[C@@H](C)CC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: