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PDB code 4KYA

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)		BDBM50444515
PNG
(CHEMBL3099581)
Show SMILES Nc1nc2[nH]c3cccc(Sc4cccc5ccccc45)c3c2c(=O)[nH]1
Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys...

Citation and Details
More data for this
Ligand-Target Pair

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