Reaction Details |
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Target | Beta-lactamase SHV-1 |
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Ligand | BDBM50149467 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_430103 (CHEMBL919581) |
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IC50 | 12±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 SHV-1 |
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Name: | Beta-lactamase SHV-1 |
Synonyms: | BLA1_KLEPN | Beta-lactamase SHV-1 | SHV-1 beta-lactamase | bla | shv1 |
Type: | Protein |
Mol. Mass.: | 31226.68 |
Organism: | Klebsiella pneumoniae (Enterobacteria) |
Description: | 4R3B |
Residue: | 286 |
Sequence: | MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADE
RFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCA
AAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPA
SMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVLPAGWFIADKTGAGERGARG
IVALLGPNNKAERIVVIYLRDTPASMAERNQQIAGIGAALIEHWQR
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BDBM50149467 |
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n/a |
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Name | BDBM50149467 |
Synonyms: | (5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,1-b][1,3]thiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium | CHEMBL122450 | Sodium; (R)-6-[1-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate | sodium (R)-6-[1-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate |
Type | Small organic molecule |
Emp. Form. | C15H10N3O3S2 |
Mol. Mass. | 344.389 |
SMILES | [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3| |
Structure |
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