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Target
Beta-lactamase
Ligand
BDBM531032
Substrate
n/a
Meas. Tech.
Enzyme Activity: Determination of IC50
IC50
0.540±n/a nM
Citation
 Pasternak, A; Dong, S; Scott, JD; Tang, H; Zhao, Z; Yang, D; Gu, X; Jiang, J; Xiao, L Metallo-beta-lactamase inhibitors and methods of use thereof US Patent  US11207312 Publication Date 12/28/2021 
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase | metallo-beta-lactamase IMP-1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
27125.88
Organism:
Pseudomonas aeruginosa
Description:
gi_27368096
Residue:
246
Sequence:
MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKKPSKPSN
  
Inhibitor
Name:
BDBM531032
Synonyms:
Methyl 1-(4-(N-((R)- pyrrolidin-3-yl)sulfamoyl)-3- sulfamoyl-2-(2H-tetrazol-5- yl)phenyl)-1,4-diazepane-5- carboxylate hydrochloride | US11207312, Example 164
Type:
Small organic molecule
Emp. Form.:
C18H27N9O6S2
Mol. Mass.:
529.594
SMILES:
COC(=O)C1CCN(CCN1)c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)N[C@@H]1CCNC1 |r|
Structure:
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