| Reaction Details |
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 | Report a problem with these data |
| Target | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase |
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| Ligand | BDBM50447054 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1289379 (CHEMBL3116711) |
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| IC50 | 219000±n/a nM |
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| Citation |  Hrast, M; Anderluh, M; Knez, D; Randall, CP; Barreteau, H; O'Neill, AJ; Blanot, D; Gobec, S Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold. Eur J Med Chem73:83-96 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase |
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| Name: | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase |
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| Synonyms: | n/a |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50454.04 |
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| Organism: | Streptococcus pneumoniae |
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| Description: | ChEMBL_108028 |
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| Residue: | 457 |
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| Sequence: | MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFE
NGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAH
LLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAI
VTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPTDKKVVRFGQGA
ELEITDLVERKDSLTFKANFLEQVLDLPVTGKYNATNAMIASYVALQEGVSEEQIHQAFQ
DLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKEL
GNQSVQLHNQMILSLSPDVLDTVIFYGEDIAELAQLASQMFPIGHVYYFKKTEDQDQFED
LVKQVKESLSANDQILLKGSNSMNLAMLVESLENETK
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| BDBM50447054 |
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| n/a |
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| Name | BDBM50447054 |
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| Synonyms: | CHEMBL3112649 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18Cl2N4O3S2 |
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| Mol. Mass. | 473.397 |
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| SMILES | NCCNS(=O)(=O)c1cc(C(=O)Nc2sc3CCCCc3c2C#N)c(Cl)cc1Cl |
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| Structure | 
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