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SMILES: Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1Br)[N+]([O-])=O

InChI Key: InChIKey=XXQBTCWBBYEQFF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 33365   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sortase family protein


(Staphylococcus aureus)		BDBM33365
PNG
(pyrazolethione, 3-3)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1Br)[N+]([O-])=O |w:13.14|
Show InChI InChI=1S/C17H13BrN4O2S/c1-11-14(17(25)21(20-11)12-5-3-2-4-6-12)10-19-16-8-7-13(22(23)24)9-15(16)18/h2-10,20H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of California at Los Angeles



Assay Description
A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...

Bioorg Med Chem 17: 7174-85 (2009)


Article DOI: 10.1016/j.bmc.2009.08.067
BindingDB Entry DOI: 10.7270/Q26W98F0
More data for this
Ligand-Target Pair