Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase
Ligand
BDBM50046822
Substrate
n/a
Meas. Tech.
ChEMBL_1452800 (CHEMBL3365142)
IC50
330000±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:
BDBM50046822
Synonyms:
CHEMBL3310456
Type:
Small organic molecule
Emp. Form.:
C27H23N3O7
Mol. Mass.:
501.4874
SMILES:
CCc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2cc(C)n(c2C)-c2cc(cc(c2)C(O)=O)C(O)=O)C1=O
Structure:
Search PDB for entries with ligand similarity: