Target
Beta-lactamase
Ligand
BDBM50335523
Substrate
n/a
Meas. Tech.
ChEMBL_715808 (CHEMBL1663883)
Ki
2500±n/a nM
Citation
 Rodríguez-Martínez, JMNordmann, PRonco, EPoirel, L Extended-spectrum cephalosporinase in Acinetobacter baumannii. Antimicrob Agents Chemother 54:3484-8 (2010) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
ADC-11
Type:
PROTEIN
Mol. Mass.:
43250.25
Organism:
Acinetobacter baumannii
Description:
ChEMBL_715813
Residue:
383
Sequence:
MRFKKISCLLLSPLFIFSTSIYAGNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSVQDKKAVNRSTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKNTPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWQPKNPIGEYRQYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPADIQRAINETHQGFYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKVTAISKEPSVKMYHKTGSTNGFGTYVVFIPKENIGLVMLTNKRIPNEERIKAAYAVLDAIKK
  
Inhibitor
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:
Search PDB for entries with ligand similarity: