| Reaction Details |
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 | Report a problem with these data |
| Target | UDP-N-acetylmuramoylalanine--D-glutamate ligase |
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| Ligand | BDBM26455 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1361613 (CHEMBL3295436) |
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| Kd | 2200±n/a nM |
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| 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 Chem83:92-101 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| UDP-N-acetylmuramoylalanine--D-glutamate ligase |
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| Name: | UDP-N-acetylmuramoylalanine--D-glutamate ligase |
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| 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 |
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| Type: | Ligase |
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| Mol. Mass.: | 46963.02 |
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| Organism: | Escherichia coli (strain K12) |
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| Description: | n/a |
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| Residue: | 438 |
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| Sequence: | MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLND
EWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVT
TLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNV
TEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHL
NHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGL
PHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYL
NGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQF
KNFEQRGNEFARLAKELG
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| BDBM26455 |
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| n/a |
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| Name | BDBM26455 |
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| Synonyms: | (2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphthalene-2-}sulfonamido)pentanedioic acid | MurD inhibitor (compound 40) | naphthalene-N-sulfonyl-D-glu derivative, 17n |
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| Type | Small organic molecule |
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| Emp. Form. | C23H19FN2O7S |
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| Mol. Mass. | 486.47 |
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| SMILES | OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| |
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| Structure | 
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