Reaction Details Report a problem with these data
Target
PA-I galactophilic lectin
Ligand
BDBM50598577
Substrate
n/a
Meas. Tech.
ChEMBL_2227359 (CHEMBL5140872)
Kd
12±n/a nM
Citation
 Singh, K; Kulkarni, SS Small Carbohydrate Derivatives as Potent Antibiofilm Agents. J Med Chem 65:8525-8549 (2022) [PubMed] 
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:
BDBM50598577
Synonyms:
CHEMBL5192743
Type:
Small organic molecule
Emp. Form.:
C40H54N12O20
Mol. Mass.:
1022.9252
SMILES:
OC[C@H]1O[C@@H](OCc2cn(nn2)[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@@H](O)[C@H]1O |r|
Structure:
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