BDBM282 (3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-8-methyl-4-oxo-4H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyloxan-4-yl carbamate::Coumarin-Based, DNA Gyrase Inhibitor::Novobiocin::US20230364057, Compound Novobiocin

SMILES: [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]

InChI Key: InChIKey=BKRYLNPFZBMBFV-UHFFFAOYSA-N

Data: 3 KI  4 IC50  1 Kd  1 ITC

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 282   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Efflux pump membrane transporter (Escherichia coli)	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5.30E+5	n/a	n/a	n/a	7.5	n/a
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DNA gyrase subunit B (Staphylococcus aureus)	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	125	n/a	n/a	n/a	n/a	7.5	n/a
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DNA gyrase subunit B (Staphylococcus aureus)	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	7.6	25
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DNA gyrase inhibitor (Escherichia coli (strain K12))	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
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DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
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DNA gyrase subunit A/B (Staphylococcus aureus)	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		10	-11.1	n/a	n/a	n/a	n/a	n/a	7.5	30
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DNA gyrase A/A/B/B tetramer (Escherichia coli (strain K12))	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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DNA topoisomerase 4 subunit A/B (Escherichia coli (strain K12))	BDBM282 (Coumarin-Based, DNA Gyrase Inhibitor | (3R,4S,5R,6...) Show SMILES Show InChI	GoogleScholar	UniChem		110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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