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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Fucose-binding lectin PA-IIL | ||
| Ligand | BDBM103982 | ||
| Substrate/Competitor | n/a | ||
| IC50 | 2.74e+3± 1.44e+3 nM | ||
| EC50 | 697±0.0 nM | ||
| Citation |  Hauck, D; Joachim, I; Frommeyer, B; Varrot, A; Philipp, B; Möller, HM; Möller, A; Exner, TE; Titz, A Discovery of two classes of potent glycomimetic inhibitors of Pseudomonas aeruginosa LecB with distinct binding modes. ACS Chem Biol8:1775-84 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article | ||
| Fucose-binding lectin PA-IIL | |||
| Name: | Fucose-binding lectin PA-IIL | ||
| Synonyms: | LecB | PA-IIL | ||
| Type: | Protein | ||
| Mol. Mass.: | 11857.84 | ||
| Organism: | Pseudomonas aeruginosa | ||
| Description: | Q9HYN5 | ||
| Residue: | 115 | ||
| Sequence: |
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| BDBM103982 | |||
| n/a | |||
| Name | BDBM103982 | ||
| Synonyms: | LecB Inhibitor Ligand 6 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C29H28N2O10S | ||
| Mol. Mass. | 596.605 | ||
| SMILES | CC1O[C@@H](OCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](O)C(O)[C@@H]1O |r,wU:36.40,3.3,wD:40.45,(41.47,-13.76,;42.95,-13.36,;44.44,-13.76,;45.93,-13.36,;45.93,-11.82,;47.26,-11.05,;48.6,-11.82,;48.6,-13.36,;49.93,-14.13,;49.93,-15.67,;51.26,-13.36,;51.26,-11.82,;52.6,-11.05,;52.6,-9.51,;51.26,-8.74,;49.93,-9.51,;49.93,-11.05,;48.87,-8.97,;48.87,-7.69,;47.81,-9.74,;51.26,-7.2,;52.6,-6.43,;53.93,-7.2,;55.27,-6.43,;55.27,-4.89,;56.6,-4.12,;53.93,-4.12,;52.6,-4.89,;51.26,-4.12,;49.93,-4.89,;48.6,-4.12,;47.26,-4.89,;45.93,-4.12,;47.26,-6.43,;48.6,-7.2,;49.93,-6.43,;44.84,-14.45,;46.33,-14.06,;43.35,-14.06,;42.74,-15.14,;41.87,-14.45,;41.87,-15.99,)| | ||
| Structure | 
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