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TargetHistone deacetylase
LigandBDBM50324112
Substrate/Competitorn/a
Meas. Tech.ChEMBL_649854 (CHEMBL1219552)
IC50 304±n/a nM
Citation Mwakwari, SCGuerrant, WPatil, VKhan, SITekwani, BLGurard-Levin, ZAMrksich, MOyelere, AK Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton. J Med Chem53:6100-11 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase
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:
MSNRKKVAYFHDPDIGSYYYGAGHPMKPQRIRMTHSLIVSYNLYKYMEVYRPHKSDVNEL
TLFHDYEYIDFLSSISLENYREFTYQLKRFNVGEATDCPVFDGLFQFQQSCAGASIDGAS
KLNHHCADICVNWSGGLHHAKMSEASGFCYINDIVLGILELLKYHARVMYIDIDVHHGDG
VEEAFYVTHRVMTVSFHKFGDYFPGTGDITDVGVNHGKYYSVNVPLNDGMTDDAFVDLFK
VVIDKCVQTYRPGAIIIQCGADSLTGDRLGRFNLTIKGHARCVEHVRSYNIPLLVLGGGG
YTIRNVSRCWAYETGVVLNKHHEMPDQISLNDYYDYYAPDFQLHLQPSNIPNYNSPEHLS
RIKMKIAENLRHIEHAPGVQFSYVPPDFFNSDIDDESDKNQYELKDDSGGGRAPGTRAKE
HSTTHHLRRKNYDDDFFDLSDRDQSIVPY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50324112
n/a
NameBDBM50324112
Synonyms:CHEMBL1214763
TypeSmall organic molecule
Emp. Form.C51H79N7O11
Mol. Mass.966.2133
SMILESCC[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(CCCCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C2=NCCN3[C@H]([C@H]2C)[C@]1(C)OC3=O)OC |r,t:57|
Structure
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