Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM52012
Substrate
n/a
Meas. Tech.
FRET-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 FRET-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:
BDBM52012
Synonyms:
3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazine-2-carboxylic acid | 3-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrazinoic acid | 3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-pyrazinecarboxylic acid | 3-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]pyrazine-2-carboxylic acid | 3-{[6,7-dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}-2-pyrazinecarboxylic acid | MLS000850300 | SMR000456318 | cid_2813041
Type:
Small organic molecule
Emp. Form.:
C18H19N3O5
Mol. Mass.:
357.3606
SMILES:
COc1cc2CCN(C(C)c2cc1OC)C(=O)c1nccnc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: