Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50081038
Substrate
n/a
Meas. Tech.
ChEBML_48696
IC50
>1000000±n/a nM
Citation
 Greenlee, ML; Laub, JB; Balkovec, JM; Hammond, ML; Hammond, GG; Pompliano, DL; Epstein-Toney, JH Synthesis and SAR of thioester and thiol inhibitors of IMP-1 metallo-beta-lactamase. Bioorg Med Chem Lett 9:2549-54 (1999) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC
Type:
Protien
Mol. Mass.:
41561.62
Organism:
Escherichia coli
Description:
P00811
Residue:
377
Sequence:
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ
  
Inhibitor
Name:
BDBM50081038
Synonyms:
(R)-2-((R)-2-Acetylamino-propionylsulfanyl)-3-dibenzofuran-2-yl-propionic acid | CHEMBL315144
Type:
Small organic molecule
Emp. Form.:
C20H19NO5S
Mol. Mass.:
385.434
SMILES:
C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
Structure:
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