Reaction Details Report a problem with these data
Target
Fucose-binding lectin PA-IIL
Ligand
BDBM50509061
Substrate
n/a
Meas. Tech.
ChEMBL_1837233 (CHEMBL4337366)
IC50
664±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
More Info.:
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:
BDBM50509061
Synonyms:
CHEMBL4554703
Type:
Small organic molecule
Emp. Form.:
C128H188N28O36
Mol. Mass.:
2695.0283
SMILES:
CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)nn2)nn1)c5OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)nn2)nn1)C(C)(C)C)c4OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)nn2)nn1)C(C)(C)C)c3OCCCn1cc(CN(O)C(=O)CCCCCn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)nn1)C(C)(C)C |r|