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Target
Histone deacetylase
Ligand
BDBM50238632
Substrate
n/a
Meas. Tech.
ChEBML_79057
IC50
1±n/a nM
Citation
 Colletti, SL; Myers, RW; Darkin-Rattray, SJ; Gurnett, AM; Dulski, PM; Galuska, S; Allocco, JJ; Ayer, MB; Li, C; Lim, J; Crumley, TM; Cannova, C; Schmatz, DM; Wyvratt, MJ; Fisher, MH; Meinke, PT Broad spectrum antiprotozoal agents that inhibit histone deacetylase: structure-activity relationships of apicidin. Part 2. Bioorg Med Chem Lett 11:113-7 (2001) [PubMed]  Article 
Target
Name:
Histone deacetylase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
50433.01
Organism:
Cryptosporidium parvum
Description:
ChEMBL_79057
Residue:
444
Sequence:
MAKRVSYFYDGDIGSYYYGPGHPMKPQRIRMAHNLILSYDLYKHMEIYKPHKSPQSELVYFHEEDYINFLSSINPDNSKDFGLQLKRFNLGETTDCPVFDGLFEFQQICAGGSIDGAYKLNNEQSDICINWSGGLHHAKRSEASGFCYINDIVLGILELLKYHARVMYIDIDVHHGDGVEEAFYLSHRVLTVSFHKFGEFFPGTGDITDIGVAQGKYYSVNVPLNDGIDDDSFLSLFKPIISKCIEVYRPGAIVLQCGADSVRGDRLGRFNLSIKGHAECVEFCKKFNIPLLILGGGGYTIRNVARTWAYETATILDRTDLISDNIPLNDYYDYFAPDFKLHIPPLNLPNMNSPEHLEKIKAKVIDNLRYLEHAPGVEFAYVPSDFFDREASNLQKQEDEEREEELSSWQGGGRAAGSTESQGNHNEKPKSSRKLQKEHASEFY
  
Inhibitor
Name:
BDBM50238632
Synonyms:
(6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxo-octyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone | CHEMBL430060 | ChEMBL_275631
Type:
Small organic molecule
Emp. Form.:
C34H49N5O6
Mol. Mass.:
623.7828
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Structure:
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