Reaction Details Report a problem with these data
Target
Histone deacetylase
Ligand
BDBM50135749
Substrate
n/a
Meas. Tech.
ChEMBL_87394 (CHEMBL691509)
IC50
1±n/a nM
Citation
 Miller, TA; Witter, DJ; Belvedere, S Histone deacetylase inhibitors. J Med Chem 46:5097-116 (2003) [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:
BDBM50135749
Synonyms:
(6S,9S,12S,14aR)-6-sec-Butyl-9-(1-methoxy-1H-indol-3-ylmethyl)-12-(6-oxiranyl-6-oxo-hexyl)-decahydro-4a,7,10,13-tetraaza-benzocyclododecene-5,8,11,14-tetraone | CHEMBL149842
Type:
Small organic molecule
Emp. Form.:
C34H47N5O7
Mol. Mass.:
637.7663
SMILES:
CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2C1=O
Structure:
Search PDB for entries with ligand similarity: