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Target
Toxin ParE
Ligand
BDBM50047315
Substrate
n/a
Meas. Tech.
ChEMBL_1454591 (CHEMBL3366703)
IC50
71±n/a nM
Citation
 Basarab, GS; Hill, PJ; Garner, CE; Hull, K; Green, O; Sherer, BA; Dangel, PB; Manchester, JI; Bist, S; Hauck, S; Zhou, F; Uria-Nickelsen, M; Illingworth, R; Alm, R; Rooney, M; Eakin, AE Optimization of pyrrolamide topoisomerase II inhibitors toward identification of an antibacterial clinical candidate (AZD5099). J Med Chem 57:6060-82 (2014) [PubMed]  Article 
Target
Name:
Toxin ParE
Synonyms:
Gyrase inhibitor ParE | PARE_ECOLX | Toxin ParE | parE
Type:
PROTEIN
Mol. Mass.:
11720.14
Organism:
Escherichia coli
Description:
ChEMBL_109450
Residue:
103
Sequence:
MTAYILTAEAEADLRGIIRYTRREWGAAQVRRYIAKLEQGIARLAAGEGPFKDMSELFPALRMARCEHHYVFCLPRAGEPALVVAILHERMDLMTRLADRLKG
  
Inhibitor
Name:
BDBM50047315
Synonyms:
CHEMBL3314581
Type:
Small organic molecule
Emp. Form.:
C21H22Cl2N6O5S
Mol. Mass.:
541.408
SMILES:
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nccc(OC)n1 |r|
Structure:
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