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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50008361   
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
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072685
PNG
((3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperid...)
Show SMILES CC1C(O)C(O)C(O)C(CO)N1CC=O
Show InChI InChI=1S/C9H17NO5/c1-5-7(13)9(15)8(14)6(4-12)10(5)2-3-11/h3,5-9,12-15H,2,4H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072685
PNG
((3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperid...)
Show SMILES CC1C(O)C(O)C(O)C(CO)N1CC=O
Show InChI InChI=1S/C9H17NO5/c1-5-7(13)9(15)8(14)6(4-12)10(5)2-3-11/h3,5-9,12-15H,2,4H2,1H3
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8n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072685
PNG
((3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperid...)
Show SMILES CC1C(O)C(O)C(O)C(CO)N1CC=O
Show InChI InChI=1S/C9H17NO5/c1-5-7(13)9(15)8(14)6(4-12)10(5)2-3-11/h3,5-9,12-15H,2,4H2,1H3
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11n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072687
PNG
((S)-2-Amino-3-hydroxy-N-(3,4,5-trihydroxy-2-hydrox...)
Show SMILES CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H23N3O6/c1-5-7(17)8(18)9(19)11(4-16,14-5)3-13-10(20)6(12)2-15/h5-9,14-19H,2-4,12H2,1H3,(H,13,20)/t5?,6-,7?,8?,9?,11?/m0/s1
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19n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072687
PNG
((S)-2-Amino-3-hydroxy-N-(3,4,5-trihydroxy-2-hydrox...)
Show SMILES CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H23N3O6/c1-5-7(17)8(18)9(19)11(4-16,14-5)3-13-10(20)6(12)2-15/h5-9,14-19H,2-4,12H2,1H3,(H,13,20)/t5?,6-,7?,8?,9?,11?/m0/s1
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30n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072687
PNG
((S)-2-Amino-3-hydroxy-N-(3,4,5-trihydroxy-2-hydrox...)
Show SMILES CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H23N3O6/c1-5-7(17)8(18)9(19)11(4-16,14-5)3-13-10(20)6(12)2-15/h5-9,14-19H,2-4,12H2,1H3,(H,13,20)/t5?,6-,7?,8?,9?,11?/m0/s1
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47n/an/an/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072685
PNG
((3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperid...)
Show SMILES CC1C(O)C(O)C(O)C(CO)N1CC=O
Show InChI InChI=1S/C9H17NO5/c1-5-7(13)9(15)8(14)6(4-12)10(5)2-3-11/h3,5-9,12-15H,2,4H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072685
PNG
((3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperid...)
Show SMILES CC1C(O)C(O)C(O)C(CO)N1CC=O
Show InChI InChI=1S/C9H17NO5/c1-5-7(13)9(15)8(14)6(4-12)10(5)2-3-11/h3,5-9,12-15H,2,4H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072685
PNG
((3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperid...)
Show SMILES CC1C(O)C(O)C(O)C(CO)N1CC=O
Show InChI InChI=1S/C9H17NO5/c1-5-7(13)9(15)8(14)6(4-12)10(5)2-3-11/h3,5-9,12-15H,2,4H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072687
PNG
((S)-2-Amino-3-hydroxy-N-(3,4,5-trihydroxy-2-hydrox...)
Show SMILES CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H23N3O6/c1-5-7(17)8(18)9(19)11(4-16,14-5)3-13-10(20)6(12)2-15/h5-9,14-19H,2-4,12H2,1H3,(H,13,20)/t5?,6-,7?,8?,9?,11?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072682
PNG
(CHEMBL115930 | {[(3,4,5-Trihydroxy-2-hydroxymethyl...)
Show SMILES CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C18H27N3O7/c1-11-14(24)15(25)16(26)18(10-22,21-11)9-20-13(23)7-19-17(27)28-8-12-5-3-2-4-6-12/h2-6,11,14-16,21-22,24-26H,7-10H2,1H3,(H,19,27)(H,20,23)
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n/an/a 40n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072687
PNG
((S)-2-Amino-3-hydroxy-N-(3,4,5-trihydroxy-2-hydrox...)
Show SMILES CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H23N3O6/c1-5-7(17)8(18)9(19)11(4-16,14-5)3-13-10(20)6(12)2-15/h5-9,14-19H,2-4,12H2,1H3,(H,13,20)/t5?,6-,7?,8?,9?,11?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072684
PNG
(2-Amino-N-(3,4,5-trihydroxy-2-hydroxymethyl-6-meth...)
Show SMILES CC1NC(CO)(CNC(=O)CN)C(O)C(O)C1O
Show InChI InChI=1S/C10H21N3O5/c1-5-7(16)8(17)9(18)10(4-14,13-5)3-12-6(15)2-11/h5,7-9,13-14,16-18H,2-4,11H2,1H3,(H,12,15)
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n/an/a 50n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072687
PNG
((S)-2-Amino-3-hydroxy-N-(3,4,5-trihydroxy-2-hydrox...)
Show SMILES CC1NC(CO)(CNC(=O)[C@@H](N)CO)C(O)C(O)C1O
Show InChI InChI=1S/C11H23N3O6/c1-5-7(17)8(18)9(19)11(4-16,14-5)3-13-10(20)6(12)2-15/h5-9,14-19H,2-4,12H2,1H3,(H,13,20)/t5?,6-,7?,8?,9?,11?/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072683
PNG
(3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperidi...)
Show SMILES CC1NC(CO)(C#N)C(O)C(O)C1O
Show InChI InChI=1S/C8H14N2O4/c1-4-5(12)6(13)7(14)8(2-9,3-11)10-4/h4-7,10-14H,3H2,1H3
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n/an/a 75n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072686
PNG
(2-Aminomethyl-2-hydroxymethyl-6-methyl-piperidine-...)
Show SMILES CC1NC(CN)(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H18N2O4/c1-4-5(12)6(13)7(14)8(2-9,3-11)10-4/h4-7,10-14H,2-3,9H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072683
PNG
(3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperidi...)
Show SMILES CC1NC(CO)(C#N)C(O)C(O)C1O
Show InChI InChI=1S/C8H14N2O4/c1-4-5(12)6(13)7(14)8(2-9,3-11)10-4/h4-7,10-14H,3H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072684
PNG
(2-Amino-N-(3,4,5-trihydroxy-2-hydroxymethyl-6-meth...)
Show SMILES CC1NC(CO)(CNC(=O)CN)C(O)C(O)C1O
Show InChI InChI=1S/C10H21N3O5/c1-5-7(16)8(17)9(18)10(4-14,13-5)3-12-6(15)2-11/h5,7-9,13-14,16-18H,2-4,11H2,1H3,(H,12,15)
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n/an/a 116n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072683
PNG
(3,4,5-Trihydroxy-2-hydroxymethyl-6-methyl-piperidi...)
Show SMILES CC1NC(CO)(C#N)C(O)C(O)C1O
Show InChI InChI=1S/C8H14N2O4/c1-4-5(12)6(13)7(14)8(2-9,3-11)10-4/h4-7,10-14H,3H2,1H3
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n/an/a 122n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072686
PNG
(2-Aminomethyl-2-hydroxymethyl-6-methyl-piperidine-...)
Show SMILES CC1NC(CN)(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H18N2O4/c1-4-5(12)6(13)7(14)8(2-9,3-11)10-4/h4-7,10-14H,2-3,9H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine epididymis


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072684
PNG
(2-Amino-N-(3,4,5-trihydroxy-2-hydroxymethyl-6-meth...)
Show SMILES CC1NC(CO)(CNC(=O)CN)C(O)C(O)C1O
Show InChI InChI=1S/C10H21N3O5/c1-5-7(16)8(17)9(18)10(4-14,13-5)3-12-6(15)2-11/h5,7-9,13-14,16-18H,2-4,11H2,1H3,(H,12,15)
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n/an/a 170n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072682
PNG
(CHEMBL115930 | {[(3,4,5-Trihydroxy-2-hydroxymethyl...)
Show SMILES CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C18H27N3O7/c1-11-14(24)15(25)16(26)18(10-22,21-11)9-20-13(23)7-19-17(27)28-8-12-5-3-2-4-6-12/h2-6,11,14-16,21-22,24-26H,7-10H2,1H3,(H,19,27)(H,20,23)
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n/an/a 190n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans F1


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072682
PNG
(CHEMBL115930 | {[(3,4,5-Trihydroxy-2-hydroxymethyl...)
Show SMILES CC1NC(CO)(CNC(=O)CNC(=O)OCc2ccccc2)C(O)C(O)C1O
Show InChI InChI=1S/C18H27N3O7/c1-11-14(24)15(25)16(26)18(10-22,21-11)9-20-13(23)7-19-17(27)28-8-12-5-3-2-4-6-12/h2-6,11,14-16,21-22,24-26H,7-10H2,1H3,(H,19,27)(H,20,23)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 200n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-Fucosidase obtained from Bovine kidney


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50072686
PNG
(2-Aminomethyl-2-hydroxymethyl-6-methyl-piperidine-...)
Show SMILES CC1NC(CN)(CO)C(O)C(O)C1O
Show InChI InChI=1S/C8H18N2O4/c1-4-5(12)6(13)7(14)8(2-9,3-11)10-4/h4-7,10-14H,2-3,9H2,1H3
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 206n/an/an/an/an/an/a



Scripps Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against alpha-1,2-Fucosidase obtained from Arthrobacter oxidans


Bioorg Med Chem Lett 8: 3353-8 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C1B
More data for this
Ligand-Target Pair