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PDB code 1IA3

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

  (190/192 = 99%)
(Candida albicans)
BDBM18047
PNG
(5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDI...)
Show SMILES CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 8n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)


Article DOI: 10.1021/jm0101444
BindingDB Entry DOI: 10.7270/Q2XW4H2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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