Reaction Details Report a problem with these data
Target
GNAT family acetyltransferase
Ligand
BDBM50193483
Substrate
n/a
Meas. Tech.
ChEMBL_385423 (CHEMBL869194)
Ki
161±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:
BDBM50193483
Synonyms:
CID44415024 | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl {[(3R)-3-({2-[(2-{[3-({[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxyoxan-2-yl]methyl}carbamoyl)propyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-3-hydroxy-2,2-dimethylpropyl phosphonato]oxy}phosphonate | truncated aminoglycoside-coenzyme A bisubstrate analogue 1c
Type:
Small organic molecule
Emp. Form.:
C37H62N11O23P3S
Mol. Mass.:
1153.937
SMILES:
CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCCC(=O)NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Structure:
Search PDB for entries with ligand similarity: