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Target
Beta-lactamase
Ligand
BDBM51964
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:
BDBM51964
Synonyms:
2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thio}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one | 3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one | 3-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one | 3-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylthio]-2,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one | MLS000531546 | SMR000136544 | cid_2229949
Type:
Small organic molecule
Emp. Form.:
C18H15N5OS3
Mol. Mass.:
413.54
SMILES:
O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12
Structure:
Search PDB for entries with ligand similarity: