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Target
Imipenem-hydrolyzing beta-lactamase
Ligand
BDBM50191383
Substrate
n/a
Meas. Tech.
ChEMBL_365443 (CHEMBL869110)
IC50
2300±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:
BDBM50191383
Synonyms:
(5R),(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c]-[1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL425963
Type:
Small organic molecule
Emp. Form.:
C13H10N3O3S2
Mol. Mass.:
320.367
SMILES:
[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3|
Structure:
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