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Target
Beta-lactamase
Ligand
BDBM40022
Substrate
n/a
Meas. Tech.
Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.
IC50
59640±n/a nM
Citation
 PubChem, PC Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. PubChem Bioassay (2009)[AID] 
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:
BDBM40022
Synonyms:
MLS000085771 | N-(2-{[2-(cyclopropylamino)-2-oxoethyl]thio}-1,3-benzothiazol-6-yl)-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide | N-[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide | N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide | N-[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methylimidazol-2-yl)thio]acetamide | N-[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[(1-methyl-2-imidazolyl)thio]acetamide | SMR000020900 | cid_3239187
Type:
Small organic molecule
Emp. Form.:
C18H19N5O2S3
Mol. Mass.:
433.571
SMILES:
Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
Structure:
Search PDB for entries with ligand similarity: