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SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=GZQUDHIMHULCTH-YMQHIKHWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507951   
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
Type 1 fimbrin D-mannose specific adhesin


(Escherichia coli (strain K12))		BDBM50507951
PNG
(CHEMBL4561506)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C21H26N2O8S/c1-12(25)22-18-20(27)19(26)17(11-24)31-21(18)30-16-9-4-3-8-15(16)13-6-5-7-14(10-13)23-32(2,28)29/h3-10,17-21,23-24,26-27H,11H2,1-2H3,(H,22,25)/t17-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...

J Med Chem 62: 467-479 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01561
More data for this
Ligand-Target Pair