Reaction Details Report a problem with these data
Target
Histone deacetylase
Ligand
BDBM50369768
Substrate
n/a
Meas. Tech.
ChEMBL_87390 (CHEMBL691505)
IC50
9±n/a nM
Citation
 Meinke, PT; Colletti, SL; Doss, G; Myers, RW; Gurnett, AM; Dulski, PM; Darkin-Rattray, SJ; Allocco, JJ; Galuska, S; Schmatz, DM; Wyvratt, MJ; Fisher, MH Synthesis of apicidin-derived quinolone derivatives: parasite-selective histone deacetylase inhibitors and antiproliferative agents. J Med Chem 43:4919-22 (2000) [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:
BDBM50369768
Synonyms:
CHEMBL1791134
Type:
Small organic molecule
Emp. Form.:
C34H47N5O6
Mol. Mass.:
621.7669
SMILES:
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(C)c2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: