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Target
D-alanine--D-alanine ligase B
Ligand
BDBM50589509
Substrate
n/a
Meas. Tech.
ChEMBL_2193720 (CHEMBL5106080)
IC50
242700±n/a nM
Citation
 Proj, M; Bozovi?ar, K; Hrast, M; Frlan, R; Gobec, S DNA-encoded library screening on two validated enzymes of the peptidoglycan biosynthetic pathway. Bioorg Med Chem Lett 73:0 (2022) [PubMed] 
Target
Name:
D-alanine--D-alanine ligase B
Synonyms:
6.3.2.4 | D-Ala-D-Ala ligase B | D-alanine--D-alanine ligase B | D-alanylalanine synthetase B | DDLB_ECOLI | ddl | ddl | ddlB
Type:
PROTEIN
Mol. Mass.:
32827.74
Organism:
Escherichia coli K-12
Description:
ChEMBL_45
Residue:
306
Sequence:
MTDKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPVDPKEVDVTQLKSMGFQKVFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRSKLLWQGAGLPVAPWVALTRAEFEKGLSDKQLAEISALGLPVIVKPSREGSSVGMSKVVAENALQDALRLAFQHDEEVLIEKWLSGPEFTVAILGEEILPSIRIQPSGTFYDYEAKYLSDETQYFCPAGLEASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVRILELAD
  
Inhibitor
Name:
BDBM50589509
Synonyms:
CHEMBL5173242
Type:
Small organic molecule
Emp. Form.:
C39H54FN7O4
Mol. Mass.:
703.889
SMILES:
CC[C@H](C)[C@@H](CCC(=O)NC)NC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)[C@H](CCC(C)C)NCc1cnn(C)c1-c1ccc(OC)cc1 |r|
Structure:
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