| Reaction Details |
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 | Report a problem with these data |
| Target | Toxin ParE |
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| Ligand | BDBM50047345 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1454591 (CHEMBL3366703) |
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| IC50 | 35±n/a nM |
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| 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 Chem57:6060-82 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Toxin ParE |
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| Name: | Toxin ParE |
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| Synonyms: | Gyrase inhibitor ParE | PARE_ECOLX | Toxin ParE | parE |
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| Type: | PROTEIN |
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| Mol. Mass.: | 11720.14 |
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| Organism: | Escherichia coli |
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| Description: | ChEMBL_109450 |
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| Residue: | 103 |
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| Sequence: | MTAYILTAEAEADLRGIIRYTRREWGAAQVRRYIAKLEQGIARLAAGEGPFKDMSELFPA
LRMARCEHHYVFCLPRAGEPALVVAILHERMDLMTRLADRLKG
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| BDBM50047345 |
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| n/a |
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| Name | BDBM50047345 |
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| Synonyms: | CHEMBL3314588 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H35Cl2N9O4S |
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| Mol. Mass. | 652.596 |
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| SMILES | CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1 |r| |
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| Structure | 
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