Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM530895
Substrate
n/a
Meas. Tech.
Enzyme Activity: Determination of IC50
IC50
0.050±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:
BDBM530895
Synonyms:
(R)-4-(4-(2-(1H-pyrazol- 1-yl)ethyl)piperidin-1- yl)-N1-(3-amino-2- hydroxypropyl)-3-(2H- tetrazol-5-yl)benzene- 1,2-disulfonamide | US11207312, Example 27
Type:
Small organic molecule
Emp. Form.:
C20H30N10O5S2
Mol. Mass.:
554.646
SMILES:
NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCC(CCn3cccn3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O |r|
Structure:
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