Reaction Details | |||
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Target | DNA gyrase subunit B | ||
Ligand | BDBM50330317 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_677263 (CHEMBL1279101) | ||
IC50 | 73±n/a nM | ||
Citation | Anderle, C; Stieger, M; Burrell, M; Reinelt, S; Maxwell, A; Page, M; Heide, L Biological activities of novel gyrase inhibitors of the aminocoumarin class. Antimicrob Agents Chemother52:1982-90 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
DNA gyrase subunit B | |||
Name: | DNA gyrase subunit B | ||
Synonyms: | DNA gyrase subunit B | DNA gyrase subunit B (gyrB) | GYRB_ECOLI | Type IIA topoisomerase subunit GyrB | acrB | cou | gyrB | himB | hisU | nalC | parA | pcbA | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 89941.28 | ||
Organism: | Escherichia coli (strain K12) | ||
Description: | P0AES6 | ||
Residue: | 804 | ||
Sequence: |
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BDBM50330317 | |||
n/a | |||
Name | BDBM50330317 | ||
Synonyms: | 5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S)-6-{8-chloro-4-hydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-benzoylamino]-2-oxo-2H-chromen-7-yloxy}-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | 5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S)-6-{8-chloro-4-hydroxy-3-[4-hydroxy-3-(4-methyl-pent-3-enyl)-benzoylamino]-2-oxo-2H-chromen-7-yloxy}-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester | CHEMBL303984 | Clorobiocin | ||
Type | Small organic molecule | ||
Emp. Form. | C35H37ClN2O11 | ||
Mol. Mass. | 697.128 | ||
SMILES | CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |r,wU:3.3,13.14,wD:2.1,15.16,(-8.34,-2.73,;-8.34,-1.19,;-7.01,-.42,;-7.01,1.12,;-8.34,1.89,;-9.68,1.12,;-9.68,-.42,;-11.01,1.89,;-11.17,3.42,;-12.68,3.74,;-13.45,2.4,;-14.98,2.24,;-12.42,1.26,;-5.68,1.89,;-5.68,3.43,;-4.34,1.12,;-3.01,1.89,;-1.67,1.12,;-1.67,-.42,;-.34,-1.19,;.99,-.42,;2.33,-1.19,;2.33,-2.73,;3.66,-.42,;4.99,-1.19,;6.33,-.42,;6.33,1.12,;7.66,-1.19,;7.66,-2.73,;8.99,-3.5,;10.33,-2.73,;11.66,-3.5,;10.33,-1.19,;11.66,-.42,;13,-1.19,;14.33,-.42,;15.66,-1.19,;14.33,1.12,;8.99,-.42,;3.66,1.12,;4.99,1.89,;2.33,1.89,;.99,1.12,;-.34,1.89,;-.34,3.43,;-4.34,-.42,;-5.68,-1.19,;-6.67,-2.37,;-4.69,-2.37,)| | ||
Structure |