Reaction Details Report a problem with these data
Target
Histone deacetylase
Ligand
BDBM50366738
Substrate
n/a
Meas. Tech.
ChEBML_79057
IC50
0.200000±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:
BDBM50366738
Synonyms:
CHEMBL1793985
Type:
Small organic molecule
Emp. Form.:
C41H55N5O7
Mol. Mass.:
729.9047
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c([nH]c3ccccc23)-c2cc(OC)cc(OC)c2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Structure:
Search PDB for entries with ligand similarity: