Reaction Details Report a problem with these data
Target
Histone deacetylase
Ligand
BDBM50366706
Substrate
n/a
Meas. Tech.
ChEBML_218969
IC50
1±n/a nM
Citation
 Colletti, SL; Myers, RW; Darkin-Rattray, SJ; Gurnett, AM; Dulski, PM; Galuska, S; Allocco, JJ; Ayer, MB; Li, C; Lim, J; Crumley, TM; Cannova, C; Schmatz, DM; Wyvratt, MJ; Fisher, MH; Meinke, PT Broad spectrum antiprotozoal agents that inhibit histone deacetylase: structure-activity relationships of apicidin. Part 1. Bioorg Med Chem Lett 11:107-11 (2001) [PubMed]  Article 
Target
Name:
Histone deacetylase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
48692.87
Organism:
Cryptosporidium parvum
Description:
ChEMBL_87390
Residue:
432
Sequence:
MGAKKKIAYFYDEEVGNFHYGLGHPMKPHRVRMTHDLVSQYGLLEKVDVMVPTPGTVESLTRFHSNDYVDFLRSVNTDNMHDYSDHLARFNVGEDCPVFDGLWEFCQLSAGGSLGGAQSVNELGYQYAINWAGGLHHGKKHEASGFCYVNDCVLGALEFLKYQHRVCYVDIDIHHGDGVEEAFYTSPRCMCVSFHKYGDYFPGTGALNDVGVEEGLGYSVNVPLKDGVDDATFIDLFTKVMTLVMENYRPGAIVLQCGADSLSGDRLGCFNLSLKGHGHAVSFLKKFNVPLLILGGGGYTLRNVPKCWTYETSLIVDTYIDEQLPNSSNFYGYYGPDFSLAVRTSNMENLNSRQDCEEIYRKISENFRDYVFPIGSQISAYDIPEKLPLLYNPNKTPDDYKDGNNIKHEQHQDFDDEMKEWPTVDYNNRAIG
  
Inhibitor
Name:
BDBM50366706
Synonyms:
CHEMBL1793810
Type:
Small organic molecule
Emp. Form.:
C35H51N5O6
Mol. Mass.:
637.8093
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2CC1=O
Structure:
Search PDB for entries with ligand similarity: