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Target
Toxin ParE
Ligand
BDBM50047215
Substrate
n/a
Meas. Tech.
ChEMBL_1454591 (CHEMBL3366703)
IC50
51±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:
BDBM50047215
Synonyms:
CHEMBL3314567
Type:
Small organic molecule
Emp. Form.:
C22H29Cl2N5O7S
Mol. Mass.:
578.466
SMILES:
COCC(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
Structure:
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