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Target
Anthranilate--CoA ligase
Ligand
BDBM50324670
Substrate
n/a
Meas. Tech.
ChEMBL_1788565 (CHEMBL4260299)
Ki
88±n/a nM
Citation
 Soukarieh, F; Williams, P; Stocks, MJ; Cámara, M Pseudomonas aeruginosa Quorum Sensing Systems as Drug Discovery Targets: Current Position and Future Perspectives. J Med Chem 61:10385-10402 (2018) [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:
BDBM50324670
Synonyms:
((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 2-hydroxybenzoylsulfamate | 5'-O-(N-(2-hydroxybenzoyl)sulfamoyl)adenosine | 5'-O-[N-(salicyl)-sulfamoyl]-adenosine | 5'-O-[N-(salicyl)sulfamoyl] adenosine | 5'-O-[N-(salicyl)sulfamoyl]adenosine | CHEMBL371502
Type:
Small organic molecule
Emp. Form.:
C17H18N6O8S
Mol. Mass.:
466.425
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O |r|
Structure:
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