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Found 24 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase (bsNOS)' AND taxid = 224308   
Target
(Institution)
LigandTarget
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
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50341681
PNG
(4-(2-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyr...)
Show SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)nc(N)c3)c2)c1
Show InChI InChI=1S/C21H25N5/c1-14-7-19(26-20(22)8-14)6-5-18-10-17(12-24-13-18)4-3-16-9-15(2)25-21(23)11-16/h7-13H,3-6H2,1-2H3,(H2,22,26)(H2,23,25)
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n/an/an/a 5.03E+3n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152723
PNG
(N-[3-({[(3S,5R)-5-({[3-(thiophene-2-imidamido)phen...)
Show SMILES N=C(Nc1cccc(COC[C@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1/C29H33N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,27,32,38H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25+,27?/s2
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n/an/an/a 7.73E+3n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50427862
PNG
(CHEMBL2326361)
Show SMILES Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(c2)C#N)c1
Show InChI InChI=1S/C23H25N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6H2,1-2H3,(H2,25,27)(H2,26,28)
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n/an/an/a 4.47E+3n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152709
PNG
(6-(5-{[(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)me...)
Show SMILES Cc1cc(N)nc(CCCCCO[C@H]2CNC[C@H]2Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1/C22H33N5O/c1-15-8-18(26-21(23)10-15)6-4-3-5-7-28-20-14-25-13-17(20)12-19-9-16(2)11-22(24)27-19/h8-11,17,20,25H,3-7,12-14H2,1-2H3,(H2,23,26)(H2,24,27)/t17-,20+/s2
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n/an/an/a 450n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50427864
PNG
(CHEMBL2326359)
Show SMILES Cc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C25H33N5/c1-17-12-22(29-24(27)14-17)9-6-19-5-7-20(4-3-11-26)21(16-19)8-10-23-13-18(2)15-25(28)30-23/h5,7,12-16H,3-4,6,8-11,26H2,1-2H3,(H2,27,29)(H2,28,30)
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n/an/an/a 8.61E+3n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50438641
PNG
(CHEMBL2414435)
Show SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1
Show InChI InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)
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n/an/an/a 6.10E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50438639
PNG
(CHEMBL2414437)
Show SMILES Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1
Show InChI InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)
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n/an/an/a 2.37E+5n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50441010
PNG
(CHEMBL2430143)
Show SMILES Cc1cc(N)nc(COC[C@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m0/s1
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n/an/an/a 1.87E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50441015
PNG
(CHEMBL2430148)
Show SMILES Cc1cc(N)nc(COCC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H27N5O2/c1-12-5-14(22-17(20)7-12)10-24-4-3-16(9-19)25-11-15-6-13(2)8-18(21)23-15/h5-8,16H,3-4,9-11,19H2,1-2H3,(H2,20,22)(H2,21,23)/t16-/m0/s1
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n/an/an/a 3.79E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152710
PNG
(6-({[(1R,3R)-3-[(6-amino-4-methylpyridin-2-yl)meth...)
Show SMILES Cc1cc(N)nc(COC[C@@H]2CC[C@H](C2)OCc2cc(C)cc(N)n2)c1
Show InChI InChI=1/C20H28N4O2/c1-13-5-16(23-19(21)7-13)11-25-10-15-3-4-18(9-15)26-12-17-6-14(2)8-20(22)24-17/h5-8,15,18H,3-4,9-12H2,1-2H3,(H2,21,23)(H2,22,24)/t15-,18-/s2
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n/an/an/a 2.33E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50014709
PNG
(CHEMBL3262018)
Show SMILES Cc1cc(N)nc(CCc2cccc(c2)[C@H](N)Cc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C22H27N5/c1-14-8-18(26-21(24)10-14)7-6-16-4-3-5-17(12-16)20(23)13-19-9-15(2)11-22(25)27-19/h3-5,8-12,20H,6-7,13,23H2,1-2H3,(H2,24,26)(H2,25,27)/t20-/m1/s1
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n/an/an/a 2.56E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152711
PNG
(4-methyl-6-[2-(3-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C18H26N4/c1-14-11-16(21-18(19)12-14)8-7-15-5-4-6-17(13-15)22(3)10-9-20-2/h4-6,11-13,20H,7-10H2,1-3H3,(H2,19,21)
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n/an/an/a 5.05E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152712
PNG
(4-methyl-6-[2-(5-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H25N5/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-20-11-14)22(3)7-6-19-2/h8-12,19H,4-7H2,1-3H3,(H2,18,21)
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n/an/an/a 5.76E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152713
PNG
(4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...)
Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1
Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)
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n/an/an/a 1.83E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152714
PNG
(6-(2-{5-[2-(dimethylamino)ethyl]pyridin-3-yl}ethyl...)
Show SMILES CN(C)CCc1cncc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C17H24N4/c1-13-8-16(20-17(18)9-13)5-4-14-10-15(12-19-11-14)6-7-21(2)3/h8-12H,4-7H2,1-3H3,(H2,18,20)
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n/an/an/a 2.23E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152715
PNG
(6-[2-(3-{cyclopropyl[2-(methylamino)ethyl]amino}-5...)
Show SMILES CNCCN(C1CC1)c1cc(F)cc(CCc2cc(C)cc(N)n2)c1
Show InChI InChI=1S/C20H27FN4/c1-14-9-17(24-20(22)10-14)4-3-15-11-16(21)13-19(12-15)25(8-7-23-2)18-5-6-18/h9-13,18,23H,3-8H2,1-2H3,(H2,22,24)
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n/an/an/a 6.21E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152716
PNG
(N-(3-{2-[3-(thiophene-2-imidamido)phenyl]ethyl}phe...)
Show SMILES N=C(Nc1cccc(CCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
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n/an/an/a 9.90E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152717
PNG
(N-[3-({[(2S)-pyrrolidin-2-ylmethyl]amino}methyl)ph...)
Show SMILES N=C(Nc1cccc(CNC[C@@H]2CCCN2)c1)c1cccs1
Show InChI InChI=1/C17H22N4S/c18-17(16-7-3-9-22-16)21-14-5-1-4-13(10-14)11-19-12-15-6-2-8-20-15/h1,3-5,7,9-10,15,19-20H,2,6,8,11-12H2,(H2,18,21)/t15-/s2
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n/an/an/a 1.78E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152718
PNG
(N-(3-{[ethyl({2-[4-(thiophene-2-imidamido)phenyl]e...)
Show SMILES CCN(CCc1ccc(NC(=N)c2cccs2)cc1)Cc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1S/C27H29N5S2/c1-2-32(19-21-6-3-7-23(18-21)31-27(29)25-9-5-17-34-25)15-14-20-10-12-22(13-11-20)30-26(28)24-8-4-16-33-24/h3-13,16-18H,2,14-15,19H2,1H3,(H2,28,30)(H2,29,31)
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n/an/an/a 6.23E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152719
PNG
(N-(3-{[(2R)-3-amino-2-{[3-(thiophene-2-imidamido)p...)
Show SMILES NC[C@H](COCc1cccc(NC(=N)c2cccs2)c1)OCc1cccc(NC(=N)c2cccs2)c1
Show InChI InChI=1/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/s2
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n/an/an/a 1.69E+5n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152720
PNG
(N-[3-({[(3S,5S)-5-({[3-(thiophene-2-imidamido)phen...)
Show SMILES N=C(Nc1cccc(COC[C@@H]2C[C@@H](CN2)OCc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1/C29H33N5O2S2/c30-28(26-9-3-11-37-26)33-22-7-1-5-20(13-22)17-35-19-24-15-25(16-32-24)36-18-21-6-2-8-23(14-21)34-29(31)27-10-4-12-38-27/h1-14,24-25,27,32,38H,15-19H2,(H2,30,33)(H2,31,34)/t24-,25-,27?/s2
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n/an/an/a 1.10E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


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Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152721
PNG
(N-(3-{2-[3-(thiophene-2-imidamido)phenoxy]ethoxy}p...)
Show SMILES N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
Show InChI InChI=1S/C24H22N4O2S2/c25-23(21-9-3-13-31-21)27-17-5-1-7-19(15-17)29-11-12-30-20-8-2-6-18(16-20)28-24(26)22-10-4-14-32-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
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n/an/an/a 1.27E+5n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM152722
PNG
(N-{3-[(pyrrolidin-3-yloxy)methyl]phenyl}thiophene-...)
Show SMILES N=C(Nc1cccc(COC2CCNC2)c1)c1cccs1
Show InChI InChI=1/C16H19N3OS/c17-16(15-5-2-8-21-15)19-13-4-1-3-12(9-13)11-20-14-6-7-18-10-14/h1-5,8-9,14,18H,6-7,10-11H2,(H2,17,19)
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n/an/an/a 7.24E+4n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
Nitric oxide synthase (bsNOS)


(Bacillus subtilis (Firmicutes))
BDBM50341682
PNG
(6,6'-(2,2'-(Pyridine-3,5-diyl)bis(ethane-2,1-diyl)...)
Show SMILES Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
Show InChI InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26)
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n/an/an/a 2.68E+3n/an/an/an/an/a



University of California, Irvine



Assay Description
In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)