Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | UDP-3-O-acyl-N-acetylglucosamine deacetylase | ||
| Ligand | BDBM50520675 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1881663 (CHEMBL4383162) | ||
| Kd | 0.200000±n/a nM | ||
| Citation |  Lee, PS; Lapointe, G; Madera, AM; Simmons, RL; Xu, W; Yifru, A; Tjandra, M; Karur, S; Rico, A; Thompson, K; Bojkovic, J; Xie, L; Uehara, K; Liu, A; Shu, W; Bellamacina, C; McKenney, D; Morris, L; Tonn, GR; Osborne, C; Benton, BM; McDowell, L; Fu, J; Sweeney, ZK Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline. J Med Chem61:9360-9370 (2018) [PubMed] Article | ||
| 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: |
| ||
| BDBM50520675 | |||
| n/a | |||
| Name | BDBM50520675 | ||
| Synonyms: | CHEMBL4562023 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H30N2O7S | ||
| Mol. Mass. | 478.559 | ||
| SMILES | CC(C)(O)[C@H]1C[C@@H](C1)C#Cc1ccc(cc1)N1C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC1=O |r,wU:18.20,4.3,wD:20.22,6.8,(6.58,-27.68,;7.34,-29.01,;6.57,-30.34,;5.8,-29.01,;8.88,-29.02,;9.97,-27.94,;11.04,-29.02,;9.96,-30.11,;12.58,-29.03,;14.12,-29.03,;15.66,-29.04,;16.4,-27.68,;17.95,-27.64,;18.74,-28.96,;18.02,-30.31,;16.48,-30.36,;20.28,-28.92,;21.22,-30.15,;22.68,-29.63,;24,-30.4,;25.34,-29.63,;25.33,-31.16,;26.67,-30.41,;26.67,-31.95,;28.01,-29.64,;29.35,-30.41,;25.35,-28.08,;26.68,-27.32,;23.8,-28.08,;24.57,-26.75,;22.64,-28.09,;21.16,-27.65,;20.64,-26.19,)| | ||
| Structure | 
| ||