Affinity Data by PDB ID

PDB code 1VJ3

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 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate Reductase (DHFR) (205/205 = 100%)^† (Pneumocystis carinii)	BDBM50058401 (2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase				J Med Chem 40: 1886-93 (1997) Article DOI: 10.1021/jm970050n BindingDB Entry DOI: 10.7270/Q2RJ4HK9
University of Nottingham 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