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Target
DNA topoisomerase (ATP-hydrolyzing)
Ligand
BDBM50378429
Substrate
n/a
Meas. Tech.
ChEMBL_598031 (CHEMBL1046300)
IC50
364±n/a nM
Citation
 Starr, JT; Sciotti, RJ; Hanna, DL; Huband, MD; Mullins, LM; Cai, H; Gage, JW; Lockard, M; Rauckhorst, MR; Owen, RM; Lall, MS; Tomilo, M; Chen, H; McCurdy, SP; Barbachyn, MR 5-(2-Pyrimidinyl)-imidazo[1,2-a]pyridines are antibacterial agents targeting the ATPase domains of DNA gyrase and topoisomerase IV. Bioorg Med Chem Lett 19:5302-6 (2009) [PubMed]  Article 
Target
Name:
DNA topoisomerase (ATP-hydrolyzing)
Synonyms:
ParE
Type:
PROTEIN
Mol. Mass.:
70593.66
Organism:
Streptococcus pneumoniae
Description:
ChEMBL_598031
Residue:
638
Sequence:
NYNDDAIQVLEGLDAVRKRPGMYIGSTDGAGLHHLVWEIVDNAVDEALSGFGDRIDVTINKDGSLTVQDHGRGMPTGMHAMGIPTVEVIFTILHAGGKFGQGGYKTSGGLHGVGSSVVNLSSSWLEVEITRDGAIYKQRFENGGKPVTTLKKIGTAPKSKTGTKVTFMPDAGIFSTTDFKYNTISERLNESAFLLKNVTLSLTDKRTDESVEFHYENGVQDFVSYLNEDKETLTPVLYFEGEDNGFQVEVALQYNDGFSDNILSFVNNVRTKDGGTHETGLKSAITKVMNDYARKTGLLKEKDKNLEGSDYREGLAAVLSILVPEEHLQFEGQTKDKLGSPLARPVVDGIVADKLTFFLMENGELASNLIRKAIKARDAREAARKARDESRNGKKNKKDKGLLSGKLTPAQSKNPAKNELYLVEGDSAGGSAKQGRDRKFQAILPLRGKVINTAKAKMADILKNEEINTMIYTIGAGVGADFSIEDANYDKIIIMTDADTDGAHIQTLLLTFFYRYMRPLVEVGHVYIALPPLYKMSKGKGKKEEVAYAWTDGELEELRKQFGKGATLQRYKGLGEMNADQLWETTMNPETRTLIRVTIEDLARAERRVNVLMGDKVEPRRKWIEDNVKFTLEEATVF
  
Inhibitor
Name:
BDBM50378429
Synonyms:
CHEMBL583049
Type:
Small organic molecule
Emp. Form.:
C19H16FN7O
Mol. Mass.:
377.375
SMILES:
CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(F)cn1
Structure:
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