Reaction Details Report a problem with these data
Target
Anthranilate--CoA ligase
Ligand
BDBM205463
Substrate
n/a
Meas. Tech.
PqsA Spectrophotometric Assay
pH
8±n/a
Ki
36300±4300 nM
Comments
extracted
Citation
 Ji, C; Sharma, I; Pratihar, D; Hudson, LL; Maura, D; Guney, T; Rahme, LG; Pesci, EC; Coleman, JP; Tan, DS Designed Small-Molecule Inhibitors of the Anthranilyl-CoA Synthetase PqsA Block Quinolone Biosynthesis in Pseudomonas aeruginosa. ACS Chem Biol 11:3061-3067 (2016) [PubMed]  Article 
Target
Name:
Anthranilate--CoA ligase
Synonyms:
Anthranilyl-CoA synthetase PqsA (PqsA) | PQSA_PSEAE | pqsA
Type:
Protein
Mol. Mass.:
56603.82
Organism:
Pseudomonas aeruginosa (Gram- Bacteria)
Description:
n/a
Residue:
517
Sequence:
MSTLANLTEVLFRLDFDPDTAVYHYRGQTLSRLQCRTYILSQASQLARLLKPGDRVVLALNDSPSLACLFLACIAVGAIPAVINPKSREQALADIAADCQASLVVREADAPSLSGPLAPLTLRAAAGRPLLDDFSLDALVGPADLDWSAFHRQDPAAACFLQYTSGSTGAPKGVMHSLRNTLGFCRAFATELLALQAGDRLYSIPKMFFGYGMGNSLFFPWFSGASALLDDTWPSPERVLENLVAFRPRVLFGVPAIYASLRPQARELLSSVRLAFSAGSPLPRGEFEFWAAHGLEICDGIGATEVGHVFLANRPGQARADSTGLPLPGYECRLVDREGHTIEEAGRQGVLLVRGPGLSPGYWRASEEQQARFAGGWYRTGDLFERDESGAYRHCGREDDLFKVNGRWVVPTQVEQAICRHLPEVSEAVLVPTCRLHDGLRPTLFVTLATPLDDNQILLAQRIDQHLAEQIPSHMLPSQLHVLPALPRNDNGKLARAELRHLADTLYHDNLPEERAC
  
Inhibitor
Name:
BDBM205463
Synonyms:
Anthranilyl-AVSN (6)
Type:
Small organic molecule
Emp. Form.:
C18H21N7O5S
Mol. Mass.:
447.468
SMILES:
Nc1ccccc1\C=C\S(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: