BDBM50330317 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

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

InChI Key InChIKey=FJAQNRBDVKIIKK-LFLQOBSNSA-N

Data  3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50330317   

TargetDNA gyrase subunit B(Escherichia coli (strain K12))
UniversitäT TüBingen

Curated by ChEMBL
LigandPNGBDBM50330317(5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...)
Affinity DataIC50:  73nMAssay Description:Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assayMore data for this Ligand-Target Pair
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
Bharathiar University

Curated by ChEMBL
LigandPNGBDBM50330317(5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...)
Affinity DataIC50:  8.5nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in relaxation of pBR322 DNA by SDS-PAGE analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit A(Staphylococcus aureus)
Vit University

Curated by ChEMBL
LigandPNGBDBM50330317(5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...)
Affinity DataIC50:  929nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase A expressed in Escherichia coli BL21(DE3) using relaxed pBR322 DNA as substrate incubated for 1 hr by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA gyrase subunit B(Escherichia coli)
University Of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50330317(5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6S...)
Affinity DataKd:  1.20nMAssay Description:Binding affinity to Escherichia coli GyrBMore data for this Ligand-Target Pair