Affinity Data by PDB ID

PDB code 2A3A

Found 1 hit 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
Endochitinase B1 (433/433 = 100%)^† (Aspergillus fumigatus)	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	5.5	37
University of Dundee					Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...				Chem Biol 12: 973-80 (2005) Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)

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