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TargetAdhesin protein fimH
LigandBDBM50357407
Substrate/Competitorn/a
Meas. Tech.ChEMBL_788106
IC50 135±n/a nM
Citation Schwardt, ORabbani, SHartmann, MAbgottspon, DWittwer, MKleeb, SZalewski, ASmieško, MCutting, BErnst, B Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem19:6454-73 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adhesin protein fimH
Name:Adhesin protein fimH
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:31474.61
Organism:Escherichia coli (strain K12)
Description:ChEMBL_1298296
Residue:300
Sequence:
MKRVITLFAVLLMGWSVNAWSFACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLS
TQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRT
DKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPTG
GCDVSARDVTVTLPDYPGSVPIPLTVYCAKSQNLGYYLSGTTADAGNSIFTNTASFSPAQ
GVGVQLTRNGTIIPANNTVSLGAVGTSAVSLGLTANYARTGGQVTAGNVQSIIGVTFVYQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50357407
NameBDBM50357407
Synonyms:CHEMBL1917308
TypeSmall organic molecule
Emp. Form.C19H29N3O6
Mol. Mass.395.4501
SMILESOC[C@H]1O[C@H](OCc2cn(nn2)C23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@@H](O)[C@@H]1O |r,THB:17:16:13:19.18.20,17:18:15.16.21:13,9:12:15:19.17.18,20:18:15:21.12.13,20:12:15:19.17.18|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a