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Target
Beta-lactamase
Ligand
BDBM50111606
Substrate
n/a
Meas. Tech.
ChEMBL_216014 (CHEMBL881597)
IC50
16000±n/a nM
Citation
 McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 45:1712-22 (2002) [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:
BDBM50111606
Synonyms:
4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[1,3-dihydroisobenzofuran-1,9'-(9'H-xanthene)]-3',6'-diolate
Type:
Small organic molecule
Emp. Form.:
C20H2Cl4I4O5
Mol. Mass.:
971.658
SMILES:
[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I
Structure:
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