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Target
Fucose-binding lectin PA-IIL
Ligand
BDBM50580211
Substrate
n/a
Meas. Tech.
ChEMBL_2147494 (CHEMBL5031840)
Kd
150±n/a nM
Citation
 Mohy El Dine, T; Jimmidi, R; Diaconu, A; Fransolet, M; Michiels, C; De Winter, J; Gillon, E; Imberty, A; Coenye, T; Vincent, SP Pillar[5]arene-Based Polycationic Glyco[2]rotaxanes Designed as  J Med Chem 64:14728-14744 (2021) [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:
BDBM50580211
Synonyms:
CHEMBL5081045
Type:
Small organic molecule
Emp. Form.:
C107H155N25O41
Mol. Mass.:
2447.5185
SMILES:
C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)nn3)N3NNC(CN(Cc4cn(nn4)C(COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)COCc4cn(CCOCCO[C@@H]5O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)nn4)C(=O)c4ccc(cc4)-c4cn(CCCCCCCCCCN=[N+]=[N-])nn4)=C3)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |r,c:163|
Structure:
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