Reaction Details Report a problem with these data
Target
Type 1 fimbiral adhesin FimH
Ligand
BDBM50197179
Substrate
n/a
Meas. Tech.
ChEMBL_1619334 (CHEMBL3861503)
IC50
1350±n/a nM
Citation
 Mydock-McGrane, L; Cusumano, Z; Han, Z; Binkley, J; Kostakioti, M; Hannan, T; Pinkner, JS; Klein, R; Kalas, V; Crowley, J; Rath, NP; Hultgren, SJ; Janetka, JW Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections. J Med Chem 59:9390-9408 (2016) [PubMed]  Article 
Target
Name:
Type 1 fimbiral adhesin FimH
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
31430.55
Organism:
Escherichia coli (strain UTI89 / UPEC)
Description:
ChEMBL_755506
Residue:
300
Sequence:
MKRVITLFAVLLMGWSVNAWSFACKTANGTAIPIGGGSANVYVNLAPAVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGAAYGGVLSSFSGTVKYNGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPTGGCDVSARDVTVTLPDYPGSVPIPLTVYCAKSQNLGYYLSGTTADAGNSIFTNTASFSPAQGVGVQLTRNGTIIPANNTVSLGAVGTSAVSLGLTANYARTGGQVTAGNVQSIIGVTFVYQ
  
Inhibitor
Name:
BDBM50197179
Synonyms:
CHEMBL1172856
Type:
Small organic molecule
Emp. Form.:
C20H23NO7
Mol. Mass.:
389.3991
SMILES:
CNC(=O)c1cccc(c1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: