Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM427555
Substrate
n/a
IC50
0.097±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  US10544130 Publication Date 1/28/2020 
Target
Name:
Beta-lactamase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29508.45
Organism:
n/a
Description:
Q2QC95
Residue:
266
Sequence:
MKTFAAYVIIACLSSTALAGSITENTSWNKEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPVFQQIAREVGEVRMQKYLKKFSYGNQNISGGIDKFWLEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAWWVGWVEKETEVYFFAFNMDIDNESKLPLRKSIPTKIMESEGIIGG
 
Inhibitor
Name:
BDBM427555
Synonyms:
2-({[4-(2-amino-1,3- benzothiazol-4-yl)-2- sulfamoyl-3-(1H- tetrazol-5- yl)phenyl]sulfonyl} amino)-N,N,N- trimethylethanaminium trifluoroacetate | US10544130, Example 391
Type:
Small organic molecule
Emp. Form.:
C19H24N9O4S3
Mol. Mass.:
538.646
SMILES:
C[N+](C)(C)CCNS(=O)(=O)c1ccc(-c2cccc3sc(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Structure:
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