| Reaction Details |
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 | Report a problem with these data |
| Target | Imipenem-hydrolyzing beta-lactamase |
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| Ligand | BDBM50191380 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_365443 (CHEMBL869110) |
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| IC50 | 28±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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| Imipenem-hydrolyzing beta-lactamase |
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| Name: | Imipenem-hydrolyzing beta-lactamase |
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| Synonyms: | BLAN_ENTCL | nmcA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32077.29 |
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| Organism: | Enterobacter cloacae |
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| Description: | ChEMBL_365443 |
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| Residue: | 292 |
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| Sequence: | MSLNVKQSRIAILFSSCLISISFFSQANTKGIDEIKNLETDFNGRIGVYALDTGSGKSFS
YRANERFPLCSSFKGFLAAAVLKGSQDNRLNLNQIVNYNTRSLEFHSPITTKYKDNGMSL
GDMAAAALQYSDNGATNIILERYIGGPEGMTKFMRSIGDEDFRLDRWELDLNTAIPGDER
DTSTPAAVAKSLKTLALGNILSEHEKETYQTWLKGNTTGAARIRASVPSDWVVGDKTGSC
GAYGTANDYAVVWPKNRAPLIISVYTTKNEKEAKHEDKVIAEASRIAIDNLK
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| BDBM50191380 |
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| n/a |
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| Name | BDBM50191380 |
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| Synonyms: | CHEMBL379440 | sodium (R,E)-7-oxo-6-((5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)methylene)-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C13H11N4O3S |
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| Mol. Mass. | 303.317 |
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| SMILES | [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3| |
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| Structure | 
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