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Target
Histone deacetylase
Ligand
BDBM50324111
Substrate
n/a
Meas. Tech.
ChEMBL_649854 (CHEMBL1219552)
IC50
10±n/a nM
Citation
 Mwakwari, SC; Guerrant, W; Patil, V; Khan, SI; Tekwani, BL; Gurard-Levin, ZA; Mrksich, M; Oyelere, AK Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton. J Med Chem 53:6100-11 (2010) [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:
BDBM50324111
Synonyms:
CHEMBL1214760
Type:
Small organic molecule
Emp. Form.:
C48H73N7O11
Mol. Mass.:
924.1335
SMILES:
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:54|
Structure:
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