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Target
PA-I galactophilic lectin
Ligand
BDBM50034082
Substrate
n/a
Meas. Tech.
ChEMBL_1436493 (CHEMBL3381675)
Kd
176±n/a nM
Citation
 Boukerb, AM; Rousset, A; Galanos, N; Méar, JB; Thépaut, M; Grandjean, T; Gillon, E; Cecioni, S; Abderrahmen, C; Faure, K; Redelberger, D; Kipnis, E; Dessein, R; Havet, S; Darblade, B; Matthews, SE; de Bentzmann, S; Guéry, B; Cournoyer, B; Imberty, A; Vidal, S Antiadhesive properties of glycoclusters against Pseudomonas aeruginosa lung infection. J Med Chem 57:10275-89 (2014) [PubMed]  Article 
Target
Name:
PA-I galactophilic lectin
Synonyms:
Galactose-binding lectin | PA-I galactophilic lectin | PA-IL | PA1L_PSEAE | lecA | pa1L
Type:
PROTEIN
Mol. Mass.:
12891.24
Organism:
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)
Description:
ChEMBL_109520
Residue:
122
Sequence:
MAWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS
  
Inhibitor
Name:
BDBM50034082
Synonyms:
CHEMBL3358626
Type:
Small organic molecule
Emp. Form.:
C104H156N12O35
Mol. Mass.:
2134.4108
SMILES:
C[C@H]1O[C@@H](OCCOCCOCCn2cc(COc3c4Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc3cc(c4)C(C)(C)C)c7OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)c6OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)c5OCc3cn(CCOCCOCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)C(C)(C)C)nn2)[C@H](O)[C@@H](O)[C@H]1O |r|
Structure:
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