Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoylalanine--D-glutamate ligase
Ligand
BDBM26444
Substrate
n/a
Meas. Tech.
ChEMBL_1361612 (CHEMBL3295435)
Kd
120000±n/a nM
Citation
 Simcic, M; Pureber, K; Kristan, K; Urleb, U; Kocjan, D; Grdadolnik, SG A novel 2-oxoindolinylidene inhibitor of bacterial MurD ligase: Enzyme kinetics, protein-inhibitor binding by NMR and a molecular dynamics study. Eur J Med Chem 83:92-101 (2014) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoylalanine--D-glutamate ligase
Synonyms:
D-glutamic acid-adding enzyme | MURD_ECOLI | MurD (E. coli) | UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase | UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase | murD
Type:
Ligase
Mol. Mass.:
46963.02
Organism:
Escherichia coli (strain K12)
Description:
n/a
Residue:
438
Sequence:
MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLNDEWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVTTLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNVTEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHLNHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGLPHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYLNGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQFKNFEQRGNEFARLAKELG
  
Inhibitor
Name:
BDBM26444
Synonyms:
(2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentanedioic acid | MurD inhibitor (compound 38) | naphthalene-N-sulfonyl-D-glu derivative, 17c
Type:
Small organic molecule
Emp. Form.:
C19H23NO7S
Mol. Mass.:
409.453
SMILES:
CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
Structure:
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