| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-lactamase |
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| Ligand | BDBM50111587 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_215908 (CHEMBL818874) |
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| IC50 | 4000±n/a nM |
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| Citation |  McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem45:1712-22 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| |
| Beta-lactamase |
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| Name: | Beta-lactamase |
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| Synonyms: | AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC |
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| Type: | Protien |
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| Mol. Mass.: | 41561.62 |
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| Organism: | Escherichia coli |
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| Description: | P00811 |
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| Residue: | 377 |
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| Sequence: | MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWG
YADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGI
TLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVK
PSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVK
STIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSII
NGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNY
PNPARVDAAWQILNALQ
|
|
|
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| BDBM50111587 |
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| n/a |
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| Name | BDBM50111587 |
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| Synonyms: | 3-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-1,3-dihydro-pyrrolo[2,3-b]pyridin-2-one | CHEMBL45981 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H26N2O2 |
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| Mol. Mass. | 350.454 |
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| SMILES | CC(C)(C)c1cc(\C=C2\C(=O)Nc3ncccc23)cc(c1O)C(C)(C)C |
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| Structure | 
|
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