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Target
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Ligand
BDBM50046817
Substrate
n/a
Meas. Tech.
ChEMBL_1452800 (CHEMBL3365142)
IC50
303000±n/a nM
Citation
 Perdih, A; Hrast, M; Barreteau, H; Gobec, S; Wolber, G; Solmajer, T Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF). Bioorg Med Chem 22:4124-34 (2014) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Synonyms:
JW0083 | MURE_ECOLI | Meso-A2pm-adding enzyme | Meso-diaminopimelate-adding enzyme | MurE (E. coli) | UDP-MurNAc-L-Ala-D-Glu:meso-diaminopimelate ligase | UDP-MurNAc-tripeptide synthetase | UDP-N-acetylmuramyl-tripeptide synthetase | murE
Type:
Protein
Mol. Mass.:
53333.42
Organism:
Escherichia coli UMNK88 (Enterobacteria)
Description:
P22188
Residue:
495
Sequence:
MADRNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGVAAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGKTTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPTENTTGSAVDVQHELAGLVDQGATFCAMEVSSHGLVQHRVAALKFAASVFTNLSRDHLDYHGDMEHYEAAKWLLYSEHHCGQAIINADDEVGRRWLAKLPDAVAVSMEDHINPNCHGRWLKATEVNYHDSGATIRFSSSWGDGEIESHLMGAFNVSNLLLALATLLALGYPLADLLKTAARLQPVCGRMEVFTAPGKPTVVVDYAHTPDALEKALQAARLHCAGKLWCVFGCGGDRDKGKRPLMGAIAEEFADVAVVTDDNPRTEEPRAIINDILAGMLDAGHAKVMEGRAEAVTCAVMQAKENDVVLVAGKGHEDYQIVGNQRLDYSDRVTVARLLGVIA
  
Inhibitor
Name:
BDBM50046817
Synonyms:
CHEMBL3310463
Type:
Small organic molecule
Emp. Form.:
C25H21N3O6S
Mol. Mass.:
491.516
SMILES:
COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O
Structure:
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