Ki Summary

Reaction Details

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Target

Fucose-binding lectin PA-IIL

Ligand

BDBM50580212

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2147494 (CHEMBL5031840)

474±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 Chem64:14728-14744 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

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:

MATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVIGTQVLNSGS
SGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDNDYNDAVVVINWPLG

BDBM50580212

n/a

Name

BDBM50580212

Synonyms:

CHEMBL5083990

Type

Small organic molecule

Emp. Form.

C176H253N39O84

Mol. Mass.

4259.1029

SMILES

C[C@@H]1O[C@@H](OCCOCCn2cc(COCC(COCc3cn(CCOCCO[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)nn3)N=[N+]=[N-])nn2)[C@@H](O)[C@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OCc2cn(CCCOc3cc4Cc5cc(OCCn6cc(CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)nn6)c(Cc6cc(OCCn7cc(CO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)nn7)c(Cc7cc(OCCn8cc(CO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)nn8)c(Cc8cc(OCCn9cc(CO[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)nn9)c(Cc3cc4OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc8OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc7OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc6OCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc5OCCCn3cc(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)nn2)[C@H](O)[C@@H](O)[C@H]1O |r|

Structure