| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-lactamase TEM |
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| Ligand | BDBM50191387 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_365442 (CHEMBL869109) |
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| IC50 | 4±n/a nM |
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| Citation |  Venkatesan, AM; Agarwal, A; Abe, T; Ushirogochi, H; Yamamura, I; Ado, M; Tsuyoshi, T; Dos Santos, O; Gu, Y; Sum, FW; Li, Z; Francisco, G; Lin, YI; Petersen, PJ; Yang, Y; Kumagai, T; Weiss, WJ; Shlaes, DM; Knox, JR; Mansour, TS Structure-activity relationship of 6-methylidene penems bearing 6,5 bicyclic heterocycles as broad-spectrum beta-lactamase inhibitors: evidence for 1,4-thiazepine intermediates with C7 R stereochemistry by computational methods. J Med Chem49:4623-37 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-lactamase TEM |
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| Name: | Beta-lactamase TEM |
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| Synonyms: | BLAT_ECOLX | Bacterial beta-lactamase TEM | Beta-lactamase (TEM-1) | Beta-lactamase TEM | Beta-lactamase TEM-1 | Beta-lactamase TEM-1b | Beta-lactamase TEM1D | Beta-lactamase TEM1E | Beta-lactamase TEM1F | TEM beta lactamase | TEM extended-spectrum beta-lactamase | TEM-1 beta-lactamase | bla |
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| Type: | Enzyme |
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| Mol. Mass.: | 31512.33 |
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| Organism: | Escherichia coli |
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| Description: | P62593 |
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| Residue: | 286 |
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| Sequence: | MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
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| BDBM50191387 |
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| n/a |
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| Name | BDBM50191387 |
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| Synonyms: | (5R),(6Z)-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-ylmethylene)-7-oxo-4-thia-1-aza-bicyclo-[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL212478 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H13N4O3S |
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| Mol. Mass. | 317.344 |
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| SMILES | CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11| |
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| Structure | 
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