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Target
GNAT family acetyltransferase
Ligand
BDBM50193475
Substrate
n/a
Meas. Tech.
ChEMBL_385423 (CHEMBL869194)
Ki
1.2±n/a nM
Citation
 Gao, F; Yan, X; Shakya, T; Baettig, OM; Ait-Mohand-Brunet, S; Berghuis, AM; Wright, GD; Auclair, K Synthesis and structure-activity relationships of truncated bisubstrate inhibitors of aminoglycoside 6'-N-acetyltransferases. J Med Chem 49:5273-81 (2006) [PubMed]  Article 
Target
Name:
GNAT family acetyltransferase
Synonyms:
Aminoglycoside acetyltransferase
Type:
PROTEIN
Mol. Mass.:
21017.80
Organism:
Enterococcus durans
Description:
ChEMBL_385423
Residue:
183
Sequence:
MIISEFDRDNLVLRDQLADLLRLTWPDEYGEQPMKEVERLLEDERIAVSAIEGDELIGFVGAIPQYGQTGWELHPLVVESMYRKQQVGTRLVSYLEKEIASQGGIVVYLGTDDVEGQTSLAIEEDLFEDTFDKLETIQNRKDHPYEFYEKLGYQIVGVIPDANGWNKPDIWMAKRIARKHGSE
  
Inhibitor
Name:
BDBM50193475
Synonyms:
(3R)-3-{[2-({2-[({[(1S)-1-carbamoyl-4-[(diaminomethylidene)amino]butyl]carbamoyl}methyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl ({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate | CID44415025 | truncated aminoglycoside-coenzyme A bisubstrate analogue 4c
Type:
Small organic molecule
Emp. Form.:
C29H47N12O18P3S
Mol. Mass.:
976.742
SMILES:
[#6]C([#6])([#6]-[#8]P([#8-])(=O)[#8]P([#8-])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8-])([#8-])=O)-n1cnc2c(-[#7])ncnc12)[#6@@H](-[#8])-[#6](=O)-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#16]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
Structure:
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