Affinity Data by PDB ID

PDB code 4EA1

Found 2 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
4,4'-diapophytoene synthase (287/287 = 100%)^† (Staphylococcus aureus)	BDBM50388398 (CHEMBL561057 \| SQ-109) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric a...				J Med Chem 55: 4367-72 (2012) Article DOI: 10.1021/jm300208p BindingDB Entry DOI: 10.7270/Q2Z320QH
					More data for this Ligand-Target Pair				3D Structure (crystal)
4,4'-diapophytoene synthase (287/287 = 100%)^† (Staphylococcus aureus)	BDBM50388398 (CHEMBL561057 \| SQ-109) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus CrtM				J Med Chem 57: 3126-39 (2014) Article DOI: 10.1021/jm500131s BindingDB Entry DOI: 10.7270/Q27P90ZN
					More data for this Ligand-Target Pair				3D Structure (crystal)

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