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Target
Metallo-beta-lactamase type 2
Ligand
BDBM50157687
Substrate
n/a
Meas. Tech.
ChEMBL_430087 (CHEMBL918108)
IC50
370±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
More Info.:
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:
BDBM50157687
Synonyms:
(5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium | CHEMBL222866
Type:
Small organic molecule
Emp. Form.:
C17H10N3NaO3S2
Mol. Mass.:
391.399
SMILES:
Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14|