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Target
Imipenem-hydrolyzing beta-lactamase
Ligand
BDBM50191381
Substrate
n/a
Meas. Tech.
ChEMBL_365443 (CHEMBL869110)
IC50
27±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 
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:
BDBM50191381
Synonyms:
(5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL378041
Type:
Small organic molecule
Emp. Form.:
C22H19N2O4S2
Mol. Mass.:
439.528
SMILES:
COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|
Structure:
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