| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-lactamase |
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| Ligand | BDBM50157687 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_430086 (CHEMBL918107) |
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| IC50 | 2±n/a nM |
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| Citation |  Venkatesan, AM; Gu, Y; Dos Santos, O; Abe, T; Agarwal, A; Yang, Y; Petersen, PJ; Weiss, WJ; Mansour, TS; Nukaga, M; Hujer, AM; Bonomo, RA; Knox, JR Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates. J Med Chem47:6556-68 (2004) [PubMed] Article |
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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_ENTCL | ampC |
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| Type: | PROTEIN |
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| Mol. Mass.: | 41306.67 |
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| Organism: | Enterobacter cloacae |
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| Description: | ChEMBL_40258 |
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| Residue: | 381 |
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| Sequence: | MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHY
YTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQ
WQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGA
LAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQA
YGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEA
NTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLA
NTSYPNPARVEAAYHILEALQ
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| BDBM50157687 |
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| n/a |
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| Name | BDBM50157687 |
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| Synonyms: | (5R,6Z)-6-[(5-methylimidazo[2,1-b][1,3]-benzothiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium | CHEMBL222866 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H10N3NaO3S2 |
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| Mol. Mass. | 391.399 |
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| SMILES | Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14| |
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| Structure | 
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