Reaction Details Report a problem with these data
Target
o-succinylbenzoate synthase
Ligand
BDBM181044
Substrate
n/a
Meas. Tech.
MenE-MenB Coupled Assay
pH
7.4±n/a
IC50
>1.00e+5±n/a nM
Comments
extracted
Citation
 Matarlo, JS; Evans, CE; Sharma, I; Lavaud, LJ; Ngo, SC; Shek, R; Rajashankar, KR; French, JB; Tan, DS; Tonge, PJ Mechanism of MenE inhibition by acyl-adenylate analogues and discovery of novel antibacterial agents. Biochemistry 54:6514-24 (2015) [PubMed]  Article 
Target
Name:
o-succinylbenzoate synthase
Synonyms:
MENC_ECOLI | menC | o-Succinylbenzoyl-CoA synthase (MenE)
Type:
Protein
Mol. Mass.:
35465.11
Organism:
Escherichia coli K-12 (Enterobacteria)
Description:
n/a
Residue:
320
Sequence:
MRSAQVYRWQIPMDAGVVLRDRRLKTRDGLYVCLREGEREGWGEISPLPGFSQETWEEAQSVLLAWVNNWLAGDCELPQMPSVAFGVSCALAELTDTLPQAANYRAAPLCNGDPDDLILKLADMPGEKVAKVKVGLYEAVRDGMVVNLLLEAIPDLHLRLDANRAWTPLKGQQFAKYVNPDYRDRIAFLEEPCKTRDDSRAFARETGIAIAWDESLREPDFAFVAEEGVRAVVIKPTLTGSLEKVREQVQAAHALGLTAVISSSIESSLGLTQLARIAAWLTPDTIPGLDTLDLMQAQQVRRWPGSTLPVVEVDALERLL
  
Inhibitor
Name:
BDBM181044
Synonyms:
5'-O-(N-[4-(2-Boronophenyl)-4-oxobutanoyl]sulfamoyl)adenosine (7, Boronic acid)
Type:
Small organic molecule
Emp. Form.:
C20H23BN6O10S
Mol. Mass.:
550.307
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCC(=O)c2ccccc2B(O)O)[C@@H](O)[C@H]1O |r|
Structure:
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