Reaction Details |
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Target | Histone deacetylase |
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Ligand | BDBM50324112 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_649854 (CHEMBL1219552) |
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IC50 | 304±n/a nM |
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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 Chem53:6100-11 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Histone deacetylase |
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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
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BDBM50324112 |
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n/a |
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Name | BDBM50324112 |
Synonyms: | CHEMBL1214763 |
Type | Small organic molecule |
Emp. Form. | C51H79N7O11 |
Mol. Mass. | 966.2133 |
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(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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