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Target
N-acetyltransferase Eis
Ligand
BDBM50219049
Substrate
n/a
Meas. Tech.
ChEMBL_2195999 (CHEMBL5108515)
IC50
5100±n/a nM
Citation
 Punetha, A; Green, KD; Garzan, A; Thamban Chandrika, N; Willby, MJ; Pang, AH; Hou, C; Holbrook, SYL; Krieger, K; Posey, JE; Parish, T; Tsodikov, OV; Garneau-Tsodikova, S Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from  RSC Med Chem 12:1894-1909 (2021) [PubMed] 
Target
Name:
N-acetyltransferase Eis
Synonyms:
Aminoglycoside N-acetyltransferase | EIS_MYCTU | Enhanced intracellular survival protein | N-acetyltransferase Eis | Protein-lysine N-acetyltransferase | eis
Type:
PROTEIN
Mol. Mass.:
43803.37
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_116995
Residue:
402
Sequence:
MTVTLCSPTEDDWPGMFLLAAASFTDFIGPESATAWRTLVPTDGAVVVRDGAGPGSEVVGMALYMDLRLTVPGEVVLPTAGLSFVAVAPTHRRRGLLRAMCAELHRRIADSGYPVAALHASEGGIYGRFGYGPATTLHELTVDRRFARFHADAPGGGLGGSSVRLVRPTEHRGEFEAIYERWRQQVPGGLLRPQVLWDELLAECKAAPGGDRESFALLHPDGYALYRVDRTDLKLARVSELRAVTADAHCALWRALIGLDSMERISIITHPQDPLPHLLTDTRLARTTWRQDGLWLRIMNVPAALEARGYAHEVGEFSTVLEVSDGGRFALKIGDGRARCTPTDAAAEIEMDRDVLGSLYLGAHRASTLAAANRLRTKDSQLLRRLDAAFASDVPVQTAFEF
  
Inhibitor
Name:
BDBM50219049
Synonyms:
1-(4-Chloro-phenyl)-4-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-butan-1-one | 1-(4-chlorophenyl)-4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)butan-1-one | CHEMBL363548
Type:
Small organic molecule
Emp. Form.:
C21H23Cl2NO2
Mol. Mass.:
392.319
SMILES:
OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: