Reaction Details |
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Target | Beta-lactamase |
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Ligand | BDBM50335523 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_715808 (CHEMBL1663883) |
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Ki | 2500±n/a nM |
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Citation | Rodríguez-Martínez, JM; Nordmann, P; Ronco, E; Poirel, L Extended-spectrum cephalosporinase in Acinetobacter baumannii. Antimicrob Agents Chemother54:3484-8 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Beta-lactamase |
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Name: | Beta-lactamase |
Synonyms: | ADC-11 |
Type: | PROTEIN |
Mol. Mass.: | 43250.25 |
Organism: | Acinetobacter baumannii |
Description: | ChEMBL_715813 |
Residue: | 383 |
Sequence: | MRFKKISCLLLSPLFIFSTSIYAGNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNN
KKYEMYYGLQSVQDKKAVNRSTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKEL
KNTPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWQPKNPIGEYRQYSNPSIG
LFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYAFGYNQENQPIRVNPGP
LDAPAYGVKSTLPDMLSFIHANLNPQKYPADIQRAINETHQGFYQVNTMYQALGWEEFSY
PATLQTLLDSNSEQIVMKPNKVTAISKEPSVKMYHKTGSTNGFGTYVVFIPKENIGLVML
TNKRIPNEERIKAAYAVLDAIKK
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BDBM50335523 |
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n/a |
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Name | BDBM50335523 |
Synonyms: | (6R,7R)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7R)-3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-hydroxyimino-acetylamino]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(E)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7R,E)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(5-aminothiophen-3-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6R,7S,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (6S,7S,E)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (Cefotaxime)3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | (R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(E)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-5,8-dioxo-5lambda*4*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Cefotaxime) | 3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion | 3-Acetoxymethyl-7-[2-(2-amino-thiazol-4-yl)-2-methoxyimino-acetylamino]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid(Cefotaxime) | 3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid anion | CHEMBL102 | Cefotax | Claforan | Kefotex | cefotaxim | cefotaxime |
Type | Small organic molecule |
Emp. Form. | C16H17N5O7S2 |
Mol. Mass. | 455.465 |
SMILES | CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1 |r,c:16| |
Structure |
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