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Target
Beta-lactamase
Ligand
BDBM50114513
Substrate
n/a
Meas. Tech.
ChEBML_47852
IC50
1180±n/a nM
Citation
 Buynak, JD; Vogeti, L; Doppalapudi, VR; Solomon, GM; Chen, H Cephalosporin-derived inhibitors of beta-lactamase. Part 4: The C3 substituent. Bioorg Med Chem Lett 12:1663-6 (2002) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ENTCL | ampC
Type:
PROTEIN
Mol. Mass.:
41306.67
Organism:
Enterobacter cloacae
Description:
ChEMBL_40258
Residue:
381
Sequence:
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQWQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARVEAAYHILEALQ
  
Inhibitor
Name:
BDBM50114513
Synonyms:
CHEMBL44813 | Sodium; (R)-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-3-[(E)-2-(2,2,2-trifluoro-ethylcarbamoyl)-vinyl]-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C18H13F3N3O6S
Mol. Mass.:
456.373
SMILES:
[O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3|
Structure:
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