Reaction Details | |||
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Target | Metallo-beta-lactamase type 2 | ||
Ligand | BDBM360941 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BIOLOGICAL ASSAYS | ||
IC50 | 0.021±n/a nM | ||
Citation | Bennett, F; Jiang, J; Pasternak, A; Dong, S; Gu, X; Scott, JD; Tang, H; Zhao, Z; Huang, Y; Yang, D; Young, K; Xiao, L; Zhang, Z; Fu, J Metallo-beta-lactamase inhibitors US Patent US10221163 Publication Date 3/5/2019 | ||
More Info.: | Get all data from this article, Assay Method | ||
Metallo-beta-lactamase type 2 | |||
Name: | Metallo-beta-lactamase type 2 | ||
Synonyms: | B2 metallo-beta-lactamase | BLAN1_KLEPN | Beta-lactamase NDM-1 | Beta-lactamase type II | Metallo-beta-lactamase NDM-1 | Metallo-beta-lactamase type 2 | Metallo-beta-lactamase type II | NDM-1 | New Delhi metallo-beta-lactamase-1 | blaNDM-1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 28498.15 | ||
Organism: | Klebsiella pneumoniae | ||
Description: | ChEMBL_103887 | ||
Residue: | 270 | ||
Sequence: |
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BDBM360941 | |||
n/a | |||
Name | BDBM360941 | ||
Synonyms: | 3-(4-(2-amino- benzo[d]thiazol- 4-yl)-2-sulfamoyl-3- (1H-tetrazol-5-yl) phenylsulfonamido) quinuclidin- 1-ium 2,2,2- trifluoroacetate | US10221163, Example 97 | US10544130, Example 97 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H23N9O4S3 | ||
Mol. Mass. | 561.66 | ||
SMILES | Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NC1CN2CCC1CC2 |(-6.65,-1.33,;-5.88,-0,;-4.34,.16,;-4.02,1.67,;-2.69,2.44,;-2.69,3.98,;-4.02,4.75,;-5.36,3.98,;-5.36,2.44,;-6.5,1.41,;-1.36,1.67,;-1.36,.13,;-.02,-.64,;1.31,.13,;1.31,1.67,;-.02,2.44,;-.02,3.98,;1.22,4.88,;.75,6.35,;-.79,6.35,;-1.27,4.88,;2.64,2.44,;3.98,3.21,;3.98,1.67,;3.04,3.92,;2.64,-.64,;3.98,-1.41,;3.98,.13,;2.64,-2.18,;3.98,-2.95,;3.98,-4.49,;5.31,-5.26,;6.65,-4.49,;6.65,-2.95,;5.31,-2.18,;6.01,-3.4,;4.82,-4.09,)| | ||
Structure |