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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50038252   
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
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50346550
PNG
(CHEMBL270110)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)Oc2ccc3cc(C)ccc3c12
Show InChI InChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373762
PNG
(CHEMBL438203)
Show SMILES Cc1ccc(cc1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C20H15BrO2/c1-12-2-4-13(5-3-12)17-11-19(22)23-18-9-6-14-10-15(21)7-8-16(14)20(17)18/h2-10,17H,11H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50346550
PNG
(CHEMBL270110)
Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)Oc2ccc3cc(C)ccc3c12
Show InChI InChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373754
PNG
(CHEMBL273076)
Show SMILES Cc1ccc(cc1F)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H14BrFO2/c1-11-2-3-13(9-17(11)22)16-10-19(23)24-18-7-4-12-8-14(21)5-6-15(12)20(16)18/h2-9,16H,10H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373756
PNG
(CHEMBL407517)
Show SMILES COc1cccc(c1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H15BrO3/c1-23-15-4-2-3-12(10-15)17-11-19(22)24-18-8-5-13-9-14(21)6-7-16(13)20(17)18/h2-10,17H,11H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373755
PNG
(CHEMBL270478)
Show SMILES Cc1ccc(cc1Cl)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H14BrClO2/c1-11-2-3-13(9-17(11)22)16-10-19(23)24-18-7-4-12-8-14(21)5-6-15(12)20(16)18/h2-9,16H,10H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373751
PNG
(CHEMBL407059)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1cccc(c1)C#N |w:6.18|
Show InChI InChI=1S/C21H15NO2/c1-13-5-7-17-16(9-13)6-8-19-21(17)18(11-20(23)24-19)15-4-2-3-14(10-15)12-22/h2-10,18H,11H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373757
PNG
(CHEMBL409006)
Show SMILES Fc1cccc(c1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C19H12BrFO2/c20-13-5-6-15-12(8-13)4-7-17-19(15)16(10-18(22)23-17)11-2-1-3-14(21)9-11/h1-9,16H,10H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373752
PNG
(CHEMBL270109)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccc(C)c(F)c1 |w:6.18|
Show InChI InChI=1S/C21H17FO2/c1-12-3-7-16-14(9-12)6-8-19-21(16)17(11-20(23)24-19)15-5-4-13(2)18(22)10-15/h3-10,17H,11H2,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373753
PNG
(CHEMBL261605)
Show SMILES Cc1ccc2c3[C@H](CC(=O)Oc3ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H16O2/c1-13-7-9-16-15(11-13)8-10-18-20(16)17(12-19(21)22-18)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3/t17-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373749
PNG
(CHEMBL271536)
Show SMILES Cc1cccc(c1)C1CC(=O)Oc2ccc3cc(C)ccc3c12 |w:7.7|
Show InChI InChI=1S/C21H18O2/c1-13-4-3-5-15(10-13)18-12-20(22)23-19-9-7-16-11-14(2)6-8-17(16)21(18)19/h3-11,18H,12H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373763
PNG
(CHEMBL270292)
Show SMILES Brc1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccccc1 |w:6.18|
Show InChI InChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373761
PNG
(CHEMBL270291)
Show SMILES COc1ccc(cc1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C20H15BrO3/c1-23-15-6-2-12(3-7-15)17-11-19(22)24-18-9-4-13-10-14(21)5-8-16(13)20(17)18/h2-10,17H,11H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373746
PNG
(CHEMBL402446)
Show SMILES Brc1ccc2c3C(CC(=O)Nc3ccc2c1)c1ccccc1 |w:6.18|
Show InChI InChI=1S/C19H14BrNO/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(22)21-17)12-4-2-1-3-5-12/h1-10,16H,11H2,(H,21,22)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373760
PNG
(CHEMBL405156)
Show SMILES Fc1ccc(cc1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C19H12BrFO2/c20-13-4-7-15-12(9-13)3-8-17-19(15)16(10-18(22)23-17)11-1-5-14(21)6-2-11/h1-9,16H,10H2
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n/an/a 7.90E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373748
PNG
(CHEMBL429433)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1cccc(Br)c1 |w:6.18|
Show InChI InChI=1S/C20H15BrO2/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(22)23-18)13-3-2-4-15(21)10-13/h2-10,17H,11H2,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373758
PNG
(CHEMBL270075)
Show SMILES Brc1cccc(c1)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:7.7|
Show InChI InChI=1S/C19H12Br2O2/c20-13-3-1-2-11(8-13)16-10-18(22)23-17-7-4-12-9-14(21)5-6-15(12)19(16)17/h1-9,16H,10H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373753
PNG
(CHEMBL261605)
Show SMILES Cc1ccc2c3[C@H](CC(=O)Oc3ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H16O2/c1-13-7-9-16-15(11-13)8-10-18-20(16)17(12-19(21)22-18)14-5-3-2-4-6-14/h2-11,17H,12H2,1H3/t17-/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373747
PNG
(CHEMBL270905)
Show SMILES Ic1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccccc1 |w:6.18|
Show InChI InChI=1S/C19H13IO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373759
PNG
(CHEMBL272461)
Show SMILES Fc1ccc(cc1F)C1CC(=O)Oc2ccc3cc(Br)ccc3c12 |w:8.8|
Show InChI InChI=1S/C19H11BrF2O2/c20-12-3-4-13-10(7-12)2-6-17-19(13)14(9-18(23)24-17)11-1-5-15(21)16(22)8-11/h1-8,14H,9H2
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n/an/a 1.97E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50373750
PNG
(CHEMBL406803)
Show SMILES Cc1ccc2c3C(CC(=O)Oc3ccc2c1)c1cccc(c1)C(N)=O |w:6.18|
Show InChI InChI=1S/C21H17NO3/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(23)25-18)13-3-2-4-15(10-13)21(22)24/h2-10,17H,11H2,1H3,(H2,22,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB
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n/an/a 3.23E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50156760
PNG
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)
Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+
PDB
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Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-Universit£t Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluorescent deacetylase assay


J Med Chem 51: 1203-13 (2008)


Article DOI: 10.1021/jm700972e
BindingDB Entry DOI: 10.7270/Q22N534Q
More data for this
Ligand-Target Pair