Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM361129
Substrate
n/a
IC50
0.088±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:
BDBM361129
Synonyms:
(R)-4-(2-aminoquinolin- 8-yl)-N1-(pyrrolidin-3- yl)-3-(2H-tetrazol-5- yl)benzene-1,2- disulfonamide | US10221163, Example 286 | US10544130, Example 286
Type:
Small organic molecule
Emp. Form.:
C20H21N9O4S2
Mol. Mass.:
515.569
SMILES:
Nc1ccc2cccc(-c3ccc(c(c3-c3nn[nH]n3)S(N)(=O)=O)S(=O)(=O)N[C@@H]3CCNC3)c2n1 |r|
Structure:
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