Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM361221
Substrate
n/a
IC50
0.098±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:
BDBM361221
Synonyms:
(R)-N1-(2,3- diaminopropyl)-4-(1H- pyrrolo[3,2-b]pyridin-6- yl)-3-(2H-tetrazol- 5-yl)benzene-1,2- disulfonamide | US10221163, Example 378 | US10544130, Example 378
Type:
Small organic molecule
Emp. Form.:
C17H20N10O4S2
Mol. Mass.:
492.535
SMILES:
NC[C@@H](N)CNS(=O)(=O)c1ccc(-c2cnc3cc[nH]c3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Structure:
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