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Target
Beta-lactamase
Ligand
BDBM51941
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:
BDBM51941
Synonyms:
MLS000034517 | N-[[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester | N-[[4-(3-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]carbamic acid tert-butyl ester | SMR000000778 | [4-(3-Methoxy-phenyl)-5-thioxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylmethyl]-carbamic acid tert-butyl ester | cid_1448423 | tert-butyl N-[[4-(3-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C15H20N4O3S
Mol. Mass.:
336.409
SMILES:
COc1cccc(c1)-n1c(CNC(=O)OC(C)(C)C)n[nH]c1=S
Structure:
Search PDB for entries with ligand similarity: