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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Gelatinase 2 (MMP-2)' AND taxid = 9823   
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
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240824
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H23N3O4/c1-9(2)8-11(14(20)18-22)17-15(21)13(19)12(16)10-6-4-3-5-7-10/h3-7,9,11-13,19,22H,8,16H2,1-2H3,(H,17,21)(H,18,20)/t11-,12-,13+/m0/s1
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n/an/a 6.46E+4n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240825
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C14H21N3O4/c1-8(2)11(13(19)17-21)16-14(20)12(18)10(15)9-6-4-3-5-7-9/h3-8,10-12,18,21H,15H2,1-2H3,(H,16,20)(H,17,19)/t10-,11-,12+/m0/s1
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n/an/a 1.28E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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Article
PubMed
n/an/a 1.63E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240822
PNG
((S)-2-((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(=O)NC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H29N3O5/c1-14(2)13-17(21(28)26-19(23(30)31)16-11-7-4-8-12-16)25-22(29)20(27)18(24)15-9-5-3-6-10-15/h3-12,14,17-20,27H,13,24H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19?,20+/m0/s1
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n/an/a 1.86E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240827
PNG
((2S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanam...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H23N3O4/c1-3-9(2)12(14(20)18-22)17-15(21)13(19)11(16)10-7-5-4-6-8-10/h4-9,11-13,19,22H,3,16H2,1-2H3,(H,17,21)(H,18,20)/t9?,11-,12-,13+/m0/s1
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n/an/a 2.07E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240828
PNG
((2R,3S)-3-amino-2-hydroxy-N-((S)-2-(hydroxyamino)-...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@H](C(=O)NO)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H19N3O4/c18-13(11-7-3-1-4-8-11)15(21)17(23)19-14(16(22)20-24)12-9-5-2-6-10-12/h1-10,13-15,21,24H,18H2,(H,19,23)(H,20,22)/t13-,14-,15+/m0/s1
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n/an/a 2.13E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240812
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H22N2O4/c1-9(2)8-11(15(20)21)17-14(19)13(18)12(16)10-6-4-3-5-7-10/h3-7,9,11-13,18H,8,16H2,1-2H3,(H,17,19)(H,20,21)/t11-,12-,13+/m0/s1
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n/an/a 2.15E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240829
PNG
((2R,3S)-3-amino-2-hydroxy-N-((S)-1-(hydroxyamino)-...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H21N3O4/c19-15(13-9-5-2-6-10-13)16(22)18(24)20-14(17(23)21-25)11-12-7-3-1-4-8-12/h1-10,14-16,22,25H,11,19H2,(H,20,24)(H,21,23)/t14-,15-,16+/m0/s1
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n/an/a 2.49E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240816
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@H](C(O)=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H18N2O4/c18-13(11-7-3-1-4-8-11)15(20)16(21)19-14(17(22)23)12-9-5-2-6-10-12/h1-10,13-15,20H,18H2,(H,19,21)(H,22,23)/t13-,14-,15+/m0/s1
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n/an/a 2.54E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240815
PNG
((2S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanam...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H22N2O4/c1-3-9(2)12(15(20)21)17-14(19)13(18)11(16)10-7-5-4-6-8-10/h4-9,11-13,18H,3,16H2,1-2H3,(H,17,19)(H,20,21)/t9?,11-,12-,13+/m0/s1
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n/an/a 2.64E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240814
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(15)9(13)8-5-3-2-4-6-8/h2-7,9-10,15H,13H2,1H3,(H,14,16)(H,17,18)/t7-,9-,10+/m0/s1
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n/an/a 2.73E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240813
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-8(2)11(14(19)20)16-13(18)12(17)10(15)9-6-4-3-5-7-9/h3-8,10-12,17H,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11-,12+/m0/s1
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n/an/a 2.87E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240826
PNG
((2R,3S)-3-amino-2-hydroxy-N-((S)-1-(hydroxyamino)-...)
Show SMILES C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C12H17N3O4/c1-7(11(17)15-19)14-12(18)10(16)9(13)8-5-3-2-4-6-8/h2-7,9-10,16,19H,13H2,1H3,(H,14,18)(H,15,17)/t7-,9-,10+/m0/s1
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n/an/a 2.92E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240831
PNG
((2R,3S)-3-amino-2-hydroxy-N-((S)-3-hydroxy-1-(hydr...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](CO)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C12H17N3O5/c13-9(7-4-2-1-3-5-7)10(17)12(19)14-8(6-16)11(18)15-20/h1-5,8-10,16-17,20H,6,13H2,(H,14,19)(H,15,18)/t8-,9-,10+/m0/s1
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n/an/a 2.92E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240830
PNG
((2R,3S)-3-amino-2-hydroxy-N-((S)-1-(hydroxyamino)-...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H21N3O5/c19-15(12-4-2-1-3-5-12)16(23)18(25)20-14(17(24)21-26)10-11-6-8-13(22)9-7-11/h1-9,14-16,22-23,26H,10,19H2,(H,20,25)(H,21,24)/t14-,15-,16+/m0/s1
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n/an/a 2.99E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240818
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O5/c19-15(12-4-2-1-3-5-12)16(22)17(23)20-14(18(24)25)10-11-6-8-13(21)9-7-11/h1-9,14-16,21-22H,10,19H2,(H,20,23)(H,24,25)/t14-,15-,16+/m0/s1
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n/an/a 4.07E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240821
PNG
((S)-2-((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H33N3O5/c1-12(2)10-15(19(26)24-16(21(28)29)11-13(3)4)23-20(27)18(25)17(22)14-8-6-5-7-9-14/h5-9,12-13,15-18,25H,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t15-,16-,17-,18+/m0/s1
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n/an/a 4.24E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240817
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O4/c19-15(13-9-5-2-6-10-13)16(21)17(22)20-14(18(23)24)11-12-7-3-1-4-8-12/h1-10,14-16,21H,11,19H2,(H,20,22)(H,23,24)/t14-,15-,16+/m0/s1
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n/an/a 4.97E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240819
PNG
((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...)
Show SMILES N[C@H]([C@@H](O)C(=O)N[C@@H](CO)C(O)=O)c1ccccc1
Show InChI InChI=1S/C12H16N2O5/c13-9(7-4-2-1-3-5-7)10(16)11(17)14-8(6-15)12(18)19/h1-5,8-10,15-16H,6,13H2,(H,14,17)(H,18,19)/t8-,9-,10+/m0/s1
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n/an/a 5.62E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair
Gelatinase 2 (MMP-2)


(Sus scrofa (Pig))
BDBM240820
PNG
((S)-2-((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C20H31N3O5/c1-11(2)10-14(18(25)23-16(12(3)4)20(27)28)22-19(26)17(24)15(21)13-8-6-5-7-9-13/h5-9,11-12,14-17,24H,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t14-,15-,16-,17+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+5n/an/an/an/an/an/a



Shan Dong University



Assay Description
Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...


J Enzyme Inhib Med Chem 28: 545-51 (2013)


Article DOI: 10.3109/14756366.2012.656622
BindingDB Entry DOI: 10.7270/Q24J0D1S
More data for this
Ligand-Target Pair