| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-lactamase TEM |
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| Ligand | BDBM50191381 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_365442 (CHEMBL869109) |
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| IC50 | 2±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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| BDBM50191381 |
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| n/a |
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| Name | BDBM50191381 |
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| Synonyms: | (5R,6Z)-6-{[5-(4-methoxybenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)]methylene}-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL378041 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H19N2O4S2 |
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| Mol. Mass. | 439.528 |
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| SMILES | COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17| |
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| Structure | 
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