| Reaction Details |
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 | Report a problem with these data |
| Target | Metallo-beta-lactamase type 2 |
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| Ligand | BDBM50191389 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_365444 (CHEMBL869111) |
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| IC50 | 14±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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| Metallo-beta-lactamase type 2 |
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| Name: | Metallo-beta-lactamase type 2 |
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| Synonyms: | BLAB_BACFG | Beta-lactamase type II | ccrA | cfiA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 27252.87 |
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| Organism: | Bacteroides fragilis |
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| Description: | ChEMBL_1502123 |
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| Residue: | 249 |
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| Sequence: | MKTVFILISMLFPVAVMAQKSVKISDDISITQLSDKVYTYVSLAEIEGWGMVPSNGMIVI
NNHQAALLDTPINDAQTEMLVNWVTDSLHAKVTTFIPNHWHGDCIGGLGYLQRKGVQSYA
NQMTIDLAKEKGLPVPEHGFTDSLTVSLDGMPLQCYYLGGGHATDNIVVWLPTENILFGG
CMLKDNQATSIGNISDADVTAWPKTLDKVKAKFPSARYVVPGHGDYGGTELIEHTKQIVN
QYIESTSKP
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| BDBM50191389 |
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| n/a |
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| Name | BDBM50191389 |
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| Synonyms: | 6-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethylene)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylicacid sodium salt | CHEMBL380061 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H17N2O4S3 |
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| Mol. Mass. | 457.566 |
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| SMILES | [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3| |
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| Structure | 
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