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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heme-binding protein HutZ (HutZ)(D132N)'   
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
Heme-binding protein HutZ (HutZ)(D132N)


(Vibrio cholerae)
BDBM231681
PNG
(Hemin)
Show SMILES Cc1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.90E+3n/an/an/a6.0n/a



Hokkaido University



Assay Description
Heme binding was tracked by difference spectroscopy in the Soret region of the UV−visible spectrum. Successive aliquots of 0.5 mM hemin in 0.1 ...


Biochemistry 56: 2723-2734 (2017)


Article DOI: 10.1021/acs.biochem.7b00152
BindingDB Entry DOI: 10.7270/Q2Z60MXX
More data for this
Ligand-Target Pair
Heme-binding protein HutZ (HutZ)(D132N)


(Vibrio cholerae)
BDBM231681
PNG
(Hemin)
Show SMILES Cc1c(CCC(O)=O)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
Show InChI InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 150n/an/an/a8.0n/a



Hokkaido University



Assay Description
Heme binding was tracked by difference spectroscopy in the Soret region of the UV−visible spectrum. Successive aliquots of 0.5 mM hemin in 0.1 ...


Biochemistry 56: 2723-2734 (2017)


Article DOI: 10.1021/acs.biochem.7b00152
BindingDB Entry DOI: 10.7270/Q2Z60MXX
More data for this
Ligand-Target Pair