Reaction Details Report a problem with these data
Target
Fucose-binding lectin PA-IIL
Ligand
BDBM50509063
Substrate
n/a
Meas. Tech.
ChEMBL_1837233 (CHEMBL4337366)
IC50
249±n/a nM
Citation
 Taouai, M; Chakroun, K; Sommer, R; Michaud, G; Giacalone, D; Ben Maaouia, MA; Vallin-Butruille, A; Mathiron, D; Abidi, R; Darbre, T; Cragg, PJ; Mullié, C; Reymond, JL; O'Toole, GA; Benazza, M Glycocluster Tetrahydroxamic Acids Exhibiting Unprecedented Inhibition of  J Med Chem 62:7722-7738 (2019) [PubMed]  Article 
Target
Name:
Fucose-binding lectin PA-IIL
Synonyms:
LecB | PA-IIL
Type:
Protein
Mol. Mass.:
11857.84
Organism:
Pseudomonas aeruginosa
Description:
Q9HYN5
Residue:
115
Sequence:
MATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVIGTQVLNSGSSGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDNDYNDAVVVINWPLG
  
Inhibitor
Name:
BDBM50509063
Synonyms:
CHEMBL4515649
Type:
Small organic molecule
Emp. Form.:
C128H188N28O32
Mol. Mass.:
2631.0307
SMILES:
C[C@@H]1O[C@@H](OCc2cn(CCCCCC(=O)N(O)Cc3cn(CCCOc4c5Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc4cc(c5)C(C)(C)C)c8OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O)nn5)nn4)C(C)(C)C)c7OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)nn5)nn4)C(C)(C)C)c6OCCCn4cc(CN(O)C(=O)CCCCCn5cc(CO[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)nn5)nn4)C(C)(C)C)nn3)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Structure:
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