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Target
Histone deacetylase
Ligand
BDBM50048864
Substrate
n/a
Meas. Tech.
ChEMBL_1750439 (CHEMBL4185199)
IC50
0.900000±n/a nM
Citation
 Hailu, GS; Robaa, D; Forgione, M; Sippl, W; Rotili, D; Mai, A Lysine Deacetylase Inhibitors in Parasites: Past, Present, and Future Perspectives. J Med Chem 60:4780-4804 (2017) [PubMed]  Article 
Target
Name:
Histone deacetylase
Synonyms:
Histone Deacetylase (pfHDAC-1)
Type:
Enzyme
Mol. Mass.:
51371.91
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
Assays were performed using recombinant pfHDAC-1 expressed and purified from S2 insect cells.
Residue:
449
Sequence:
MSNRKKVAYFHDPDIGSYYYGAGHPMKPQRIRMTHSLIVSYNLYKYMEVYRPHKSDVNELTLFHDYEYIDFLSSISLENYREFTYQLKRFNVGEATDCPVFDGLFQFQQSCAGASIDGASKLNHHCADICVNWSGGLHHAKMSEASGFCYINDIVLGILELLKYHARVMYIDIDVHHGDGVEEAFYVTHRVMTVSFHKFGDYFPGTGDITDVGVNHGKYYSVNVPLNDGMTDDAFVDLFKVVIDKCVQTYRPGAIIIQCGADSLTGDRLGRFNLTIKGHARCVEHVRSYNIPLLVLGGGGYTIRNVSRCWAYETGVVLNKHHEMPDQISLNDYYDYYAPDFQLHLQPSNIPNYNSPEHLSRIKMKIAENLRHIEHAPGVQFSYVPPDFFNSDIDDESDKNQYELKDDSGGGRAPGTRAKEHSTTHHLRRKNYDDDFFDLSDRDQSIVPY
  
Inhibitor
Name:
BDBM50048864
Synonyms:
CHEMBL3310505
Type:
Small organic molecule
Emp. Form.:
C24H36N4O6S2
Mol. Mass.:
540.696
SMILES:
[H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Structure:
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