BindingDB logo
myBDB logout

null

SMILES: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(F)c1-c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=QBKBMTCBDZUKLN-QNDFHXLGSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507936   
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))		BDBM50507936
PNG
(CHEMBL4436681)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(F)c1-c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C21H25FN2O8S/c1-11(26)23-18-20(28)19(27)16(10-25)32-21(18)31-15-8-4-7-14(22)17(15)12-5-3-6-13(9-12)24-33(2,29)30/h3-9,16,18-21,24-25,27-28H,10H2,1-2H3,(H,23,26)/t16-,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 8.80E+4n/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