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Target
Imipenem-hydrolyzing beta-lactamase
Ligand
BDBM50191378
Substrate
n/a
Meas. Tech.
ChEMBL_365443 (CHEMBL869110)
IC50
8±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 Chem 49:4623-37 (2006) [PubMed] Article
More Info.:
Target
Name:
Imipenem-hydrolyzing beta-lactamase
Synonyms:
BLAN_ENTCL | nmcA
Type:
PROTEIN
Mol. Mass.:
32077.29
Organism:
Enterobacter cloacae
Description:
ChEMBL_365443
Residue:
292
Sequence:
MSLNVKQSRIAILFSSCLISISFFSQANTKGIDEIKNLETDFNGRIGVYALDTGSGKSFSYRANERFPLCSSFKGFLAAAVLKGSQDNRLNLNQIVNYNTRSLEFHSPITTKYKDNGMSLGDMAAAALQYSDNGATNIILERYIGGPEGMTKFMRSIGDEDFRLDRWELDLNTAIPGDERDTSTPAAVAKSLKTLALGNILSEHEKETYQTWLKGNTTGAARIRASVPSDWVVGDKTGSCGAYGTANDYAVVWPKNRAPLIISVYTTKNEKEAKHEDKVIAEASRIAIDNLK
Inhibitor
Name:
BDBM50191378
Synonyms:
CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methylene)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C13H10N3O4S
Mol. Mass.:
304.302
SMILES:
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|