| 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 | BDBM81626 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| IC50 | 2.5e+3±n/a nM |
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| Citation |  Stamper, GF; Longenecker, KL; Fry, EH; Jakob, CG; Florjancic, AS; Gu, YG; Anderson, DD; Cooper, CS; Zhang, T; Clark, RF; Cia, Y; Black-Schaefer, CL; Owen McCall, J; Lerner, CG; Hajduk, PJ; Beutel, BA; Stoll, VS Structure-based optimization of MurF inhibitors. Chem Biol Drug Des67:58-65 (2006) [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: | MurF (S. pneumoniae) | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF) | UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase |
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| Type: | Protein |
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| Mol. Mass.: | 50482.72 |
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| Organism: | Streptococcus pneumoniae (Firmicutes) |
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| Description: | S. pneumoniae MurF |
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| Residue: | 457 |
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| Sequence: | MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFE
NGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAH
LLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAI
VTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPIDKKVVRFGQGA
ELEITDLVERKDSLTFKANFLEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQ
HLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKEL
GDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFED
LVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK
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| BDBM81626 |
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| n/a |
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| Name | BDBM81626 |
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| Synonyms: | MurF inhibitor, 5 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22ClN3O3S2 |
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| Mol. Mass. | 464.001 |
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| SMILES | Clc1ccc(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCCCC1 |
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| Structure | 
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