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Target
Type 1 fimbrin D-mannose specific adhesin
Ligand
BDBM50507939
Substrate
n/a
Meas. Tech.
ChEMBL_1831845 (CHEMBL4331853)
IC50
51000±n/a nM
Citation
 Maddirala, AR; Klein, R; Pinkner, JS; Kalas, V; Hultgren, SJ; Janetka, JW Biphenyl Gal and GalNAc FmlH Lectin Antagonists of Uropathogenic E. coli (UPEC): Optimization through Iterative Rational Drug Design. J Med Chem 62:467-479 (2019) [PubMed]  Article 
Target
Name:
Type 1 fimbrin D-mannose specific adhesin
Synonyms:
Adhesin protein fimH | FIMH_ECOLI | fimH
Type:
PROTEIN
Mol. Mass.:
31474.61
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_1298296
Residue:
300
Sequence:
MKRVITLFAVLLMGWSVNAWSFACKTANGTAIPIGGGSANVYVNLAPVVNVGQNLVVDLSTQIFCHNDYPETITDYVTLQRGSAYGGVLSNFSGTVKYSGSSYPFPTTSETPRVVYNSRTDKPWPVALYLTPVSSAGGVAIKAGSLIAVLILRQTNNYNSDDFQFVWNIYANNDVVVPTGGCDVSARDVTVTLPDYPGSVPIPLTVYCAKSQNLGYYLSGTTADAGNSIFTNTASFSPAQGVGVQLTRNGTIIPANNTVSLGAVGTSAVSLGLTANYARTGGQVTAGNVQSIIGVTFVYQ
  
Inhibitor
Name:
BDBM50507939
Synonyms:
CHEMBL4572384
Type:
Small organic molecule
Emp. Form.:
C24H30N2O8S
Mol. Mass.:
506.569
SMILES:
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cccc(C)c1-c1cccc(NS(=O)(=O)C2CC2)c1 |r|
Structure:
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