Reaction Details |
| Report a problem with these data |
Target | Imipenem-hydrolyzing beta-lactamase |
---|
Ligand | BDBM50191388 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_365443 (CHEMBL869110) |
---|
IC50 | 413±n/a nM |
---|
Citation | Venkatesan, AM; Agarwal, A; Abe, T; Ushirogochi, H; Yamamura, I; Ado, M; Tsuyoshi, T; Dos Santos, O; Gu, Y; Sum, FW; Li, Z; Francisco, G; Lin, YI; Petersen, PJ; Yang, Y; Kumagai, T; Weiss, WJ; Shlaes, DM; Knox, JR; Mansour, TS Structure-activity relationship of 6-methylidene penems bearing 6,5 bicyclic heterocycles as broad-spectrum beta-lactamase inhibitors: evidence for 1,4-thiazepine intermediates with C7 R stereochemistry by computational methods. J Med Chem49:4623-37 (2006) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Imipenem-hydrolyzing beta-lactamase |
---|
Name: | Imipenem-hydrolyzing beta-lactamase |
Synonyms: | BLAN_ENTCL | nmcA |
Type: | PROTEIN |
Mol. Mass.: | 32077.29 |
Organism: | Enterobacter cloacae |
Description: | ChEMBL_365443 |
Residue: | 292 |
Sequence: | MSLNVKQSRIAILFSSCLISISFFSQANTKGIDEIKNLETDFNGRIGVYALDTGSGKSFS
YRANERFPLCSSFKGFLAAAVLKGSQDNRLNLNQIVNYNTRSLEFHSPITTKYKDNGMSL
GDMAAAALQYSDNGATNIILERYIGGPEGMTKFMRSIGDEDFRLDRWELDLNTAIPGDER
DTSTPAAVAKSLKTLALGNILSEHEKETYQTWLKGNTTGAARIRASVPSDWVVGDKTGSC
GAYGTANDYAVVWPKNRAPLIISVYTTKNEKEAKHEDKVIAEASRIAIDNLK
|
|
|
BDBM50191388 |
---|
n/a |
---|
Name | BDBM50191388 |
Synonyms: | (5R)(6Z)-6-(6,7-5H-dihydropyrazolo[5,1-b]-oxazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL377001 |
Type | Small organic molecule |
Emp. Form. | C13H10N3O4S |
Mol. Mass. | 304.302 |
SMILES | [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3| |
Structure |
|