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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(NC(=O)C(F)(F)F)c1

InChI Key: InChIKey=MUFBUEWZAMMVQO-OUUBHVDSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50507945   
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))		BDBM50507945
PNG
(CHEMBL4434673)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1-c1cccc(NC(=O)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C22H23F3N2O7/c1-11(29)26-17-19(31)18(30)16(10-28)34-20(17)33-15-8-3-2-7-14(15)12-5-4-6-13(9-12)27-21(32)22(23,24)25/h2-9,16-20,28,30-31H,10H2,1H3,(H,26,29)(H,27,32)/t16-,17-,18+,19-,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/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