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Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate Reductase (DHFR) Mutant (F98Y)'   
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) Mutant (F98Y)


(Staphylococcus aureus (subsp. aureus NCTC 8325))
BDBM18071
PNG
(5-chloro-3-({4-[(2,4-diaminopyrimidin-5-yl)methyl]...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC
Show InChI InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)
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Patents

90 -40.9 900n/an/an/an/a7.030



ARPIDA AG



Assay Description
Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...


Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006)


BindingDB Entry DOI: 10.7270/Q2959FTP
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR) Mutant (F98Y)


(Staphylococcus aureus (subsp. aureus NCTC 8325))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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Similars

PDB
5.50E+3 -30.5 4.50E+4n/an/an/an/a7.030



ARPIDA AG



Assay Description
Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...


Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006)


BindingDB Entry DOI: 10.7270/Q2959FTP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)