Affinity Data by PDB ID

PDB code 3SA2

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
Dihydrofolate reductase (161/162 > 99%)^† (Bacillus anthracis)	BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR				J Med Chem 53: 7327-36 (2010) Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (161/162 > 99%)^† (Bacillus anthracis)	BDBM50329612 (6-ethyl-5-(3-(5-methoxybiphenyl-3-yl)prop-1-ynyl)p...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	973	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of wild type Bacillus anthracis recombinant DHFR				J Med Chem 53: 7327-36 (2010) Article DOI: 10.1021/jm100727t BindingDB Entry DOI: 10.7270/Q2028RSR
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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