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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | UDP-3-O-acyl-N-acetylglucosamine deacetylase | ||
| Ligand | BDBM264845 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | P. aeruqinosa LpxC Inhibition Assay | ||
| pH | 7.5±n/a | ||
| Temperature | 298.15±n/a K | ||
| IC50 | <0.001±n/a nM | ||
| Comments | extracted | ||
| Citation |  Fu, J; Jin, X; Karur, S; LaPointe, G; Lee, P; Sweeney, ZK Isoxazoline hydroxamic acid derivatives as LpxC inhibitors US Patent US9718792 Publication Date 8/1/2017 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| UDP-3-O-acyl-N-acetylglucosamine deacetylase | |||
| Name: | UDP-3-O-acyl-N-acetylglucosamine deacetylase | ||
| Synonyms: | LPXC_PSEAE | Protein envA | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) | UDP-3-O-acyl-GlcNAc deacetylase | UDP-3-O-acyl-GlcNAc deacetylase (LpxC) | envA | lpxC | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 33428.15 | ||
| Organism: | Pseudomonas aeruginosa | ||
| Description: | P47205 | ||
| Residue: | 303 | ||
| Sequence: |
| ||
| BDBM264845 | |||
| n/a | |||
| Name | BDBM264845 | ||
| Synonyms: | US9718792, 55 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H25N3O5S | ||
| Mol. Mass. | 443.516 | ||
| SMILES | C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC(CC#N)C1)(C(=O)NO)S(C)(=O)=O |r,wU:3.2,wD:1.0,c:5,(9.39,2.02,;7.9,1.62,;6.57,.85,;5.24,1.62,;3.99,.72,;2.74,1.62,;3.22,3.09,;4.76,3.09,;1.26,1.23,;.86,-.26,;-.63,-.66,;-1.72,.43,;-1.32,1.92,;.17,2.31,;-3.21,.03,;-4.69,-.37,;-6.18,-.77,;-7.52,0,;-8.29,-1.33,;-9.77,-1.73,;-10.17,-3.22,;-11.66,-3.62,;-6.95,-2.1,;9.24,.85,;10.57,1.62,;9.24,-.69,;10.57,-1.46,;7.9,3.16,;7.9,4.7,;6.36,3.16,;9.44,3.16,)| | ||
| Structure | 
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