BDBM50290686 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid::9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid::9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid::9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid (Mupirocin)::BRL-4910A::Bactroban::CHEMBL719::Centany::MUPIROCIN::Pseudomonic Acid::cid_446596

SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O

InChI Key: InChIKey=MINDHVHHQZYEEK-UHFFFAOYSA-N

Data: 1 KI  9 IC50  1 EC50

PDB links: 7 PDB IDs match this monomer.

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 11 hits for monomerid = 50290686   

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
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	423	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 2 (Human)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 4 (Human)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-binding cassette sub-family C member 3 (Human)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Isoleucine--tRNA ligase (Staphylococcus aureus)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Isoleucine--tRNA ligase (Staphylococcus aureus)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	279	n/a	n/a	n/a	n/a	n/a	n/a
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Isoleucine--tRNA ligase (Staphylococcus aureus)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
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Isoleucine--tRNA ligase, cytoplasmic (Human)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
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L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Isoleucine--tRNA ligase (Escherichia coli (strain K12))	BDBM50290686 (9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((...) Show SMILES Show InChI	GoogleScholar	UniChem		2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair