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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Anthranilyl-CoA synthetase PqsA (PqsA)' and Ligand = 'BDBM205458'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Anthranilyl-CoA synthetase PqsA (PqsA)


(Pseudomonas aeruginosa (Gram- Bacteria))		BDBM205458
PNG
(Anthranilyl-AMS (1))
Show SMILES Nc1ccccc1C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H19N7O7S/c18-9-4-2-1-3-8(9)16(27)23-32(28,29)30-5-10-12(25)13(26)17(31-10)24-7-22-11-14(19)20-6-21-15(11)24/h1-4,6-7,10,12-13,17,25-26H,5H2,(H5,18,19,20,21,23,27)/p-1/t10-,12-,13-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
 205n/an/an/an/an/an/a8.0n/a



East Carolina University



Assay Description
Reactions were performed at 37 °C in a 0.5 mL volume in a Varian Cary 100 UV-visible spectrophotometer with Cary WinUV software. Reaction mixtures co...

ACS Chem Biol 11: 3061-3067 (2016)


Article DOI: 10.1021/acschembio.6b00575
BindingDB Entry DOI: 10.7270/Q2M61J25
More data for this
Ligand-Target Pair