Reaction Details Report a problem with these data
Target
Metallo-beta-lactamase type 2
Ligand
BDBM50157692
Substrate
n/a
Meas. Tech.
ChEMBL_430087 (CHEMBL918108)
IC50
400000±n/a nM
Citation
 Venkatesan, AM; Gu, Y; Dos Santos, O; Abe, T; Agarwal, A; Yang, Y; Petersen, PJ; Weiss, WJ; Mansour, TS; Nukaga, M; Hujer, AM; Bonomo, RA; Knox, JR Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates. J Med Chem 47:6556-68 (2004) [PubMed]  Article 
Target
Name:
Metallo-beta-lactamase type 2
Synonyms:
BLAB_BACFG | Beta-lactamase type II | ccrA | cfiA
Type:
PROTEIN
Mol. Mass.:
27252.87
Organism:
Bacteroides fragilis
Description:
ChEMBL_1502123
Residue:
249
Sequence:
MKTVFILISMLFPVAVMAQKSVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVINNHQAALLDTPINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSYANQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVWLPTENILFGGCMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVVPGHGDYGGTELIEHTKQIVNQYIESTSKP
  
Inhibitor
Name:
BDBM50157692
Synonyms:
CHEMBL1439 | CL-307579 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate | TAZOBACTAM SODIUM | US9035062, TAZ | sodium (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[1,2,3]triazol-1-ylmethyl-4lambda6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate | tazobactum
Type:
Small organic molecule
Emp. Form.:
C10H11N4NaO5S
Mol. Mass.:
322.273
SMILES:
C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
Structure:
Search PDB for entries with ligand similarity: