Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66115
Substrate
n/a
Meas. Tech.
Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase
IC50
2506±n/a nM
Citation
PubChem, PC Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase PubChem Bioassay (2010)[AID]
More Info.:
Target
Name:
Beta-lactamase
Synonyms:
Beta lactamase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31513.38
Organism:
Pseudomonas aeruginosa
Description:
gi_114881106
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
Inhibitor
Name:
BDBM66115
Synonyms:
2-[7-(1-azepanyl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile | 2-[7-(azepan-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]malononitrile | 2-[7-(azepan-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile | MLS000391930 | SMR000260963 | cid_3614365
Type:
Small organic molecule
Emp. Form.:
C19H23N3
Mol. Mass.:
293.406
SMILES:
N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|