Affinity Data by PDB ID

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PDB code 2IWX

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Heat Shock Protein 90 (Hsp90) (214/214 = 100%)^† (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
University of Nottingham					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (214/214 = 100%)^† (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description Binding competition assay with a fluorescent probe.				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
University of Nottingham					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (214/214 = 100%)^† (Saccharomyces cerevisiae)	BDBM68263 (Microlactone, 15h) Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham					Assay Description A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...				Chem Biol 13: 1203-15 (2006) Article DOI: 10.1016/j.chembiol.2006.09.015 BindingDB Entry DOI: 10.7270/Q2930RMM
University of Nottingham					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output