| 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 | BDBM50371272 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_463171 (CHEMBL946187) |
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| IC50 | >5000000±n/a nM |
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| Citation |  Taha, MO; Atallah, N; Al-Bakri, AG; Paradis-Bleau, C; Zalloum, H; Younis, KS; Levesque, RC Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening. Bioorg Med Chem16:1218-35 (2008) [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.: | 47381.53 |
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| Organism: | Pseudomonas aeruginosa |
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| Description: | ChEMBL_463171 |
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| Residue: | 458 |
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| Sequence: | MLEPLRLSQLTVALDARLIGEDAVFSAVSTDSRAIGPGQLFIALSGPRFDGHDYLAEVAA
KGAVAALVEREVADAPLPQLLVRDTRAALGRLGALNRRKFTGPLAAMTGSSGKTAVKEML
ASILRTQAGDAESVLATRGNLNNDLGVPLTLLQLAPQHRSAVIELGASRIGEIAYTVELT
RPHVAIITNAGTAHVGEFGGPEKIVEAKGEILEGLAADGTAVLNLDDKAFDTWKARASGR
PLLTFSLDRPQADFRAADLQRDARGCMGFRLQGVAGEAQVQLNLLGRHNVANALAAAAAA
HALGVPLDGIVAGLQALQPVKGRAVAQLTASGLRVIDDSYNANPASMLAAIDILSGFSGR
TVLVLGDMGELGSWAEQAHREVGAYAAGKVSALYAVGPLMAHAVQAFGATGRHFADQASL
IGALATEQPTTTILIKGSRSAAMDKVVAALCGSSEESH
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| BDBM50371272 |
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| n/a |
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| Name | BDBM50371272 |
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| Synonyms: | CHEMBL271393 | NSC-35952 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H14Cl2N2O4S6 |
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| Mol. Mass. | 561.589 |
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| SMILES | Clc1ccc(cc1)S(=O)(=O)SC(=S)NCCNC(=S)SS(=O)(=O)c1ccc(Cl)cc1 |
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| Structure | 
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