Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM361318
Substrate
n/a
IC50
0.087±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:
BDBM361318
Synonyms:
(S)-N1-(1-amino-3- hydroxypropan-2-yl)-4-(2- (aminomethyl)benzo[d]thiazol- 5-yl)-3-(2H-tetrazol-5- yl)benzene-1,2-disulfonamide | US10221163, Example 475 | US10544130, Example 475
Type:
Small organic molecule
Emp. Form.:
C18H21N9O5S3
Mol. Mass.:
539.612
SMILES:
NC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccc3sc(CN)nc3c2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: