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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'tamanini' and Initial = 'a'   
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
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50335390
PNG
(CHEMBL1651630 | N-Hexoxypentyl-1-deoxynojirimycin)
Show SMILES CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524479
PNG
(CHEMBL4459011)
Show SMILES CCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3
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n/an/a 1n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524480
PNG
(CHEMBL4559665)
Show SMILES OCC1C(O)C(O)C(O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2
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n/an/a 4n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50335387
PNG
(CHEMBL1651633 | N-Nonoxypentyl-1-deoxynojirimycin)
Show SMILES CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3/t17-,18+,19-,20-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 35n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524486
PNG
(CHEMBL4577406)
Show SMILES CCCCCCCCCOCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3
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n/an/a 44n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524485
PNG
(CHEMBL4435506)
Show SMILES OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m0/s1
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n/an/a 65n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524481
PNG
(CHEMBL4459494)
Show SMILES CCCCCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C20H41NO5/c1-2-3-4-5-6-7-10-13-26-14-11-8-9-12-21-15-18(23)20(25)19(24)17(21)16-22/h17-20,22-25H,2-16H2,1H3/t17-,18+,19-,20-/m0/s1
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n/an/a 137n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524484
PNG
(CHEMBL187262)
Show SMILES CCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3
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n/an/a 260n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524482
PNG
(CHEMBL4460711)
Show SMILES CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50335390
PNG
(CHEMBL1651630 | N-Hexoxypentyl-1-deoxynojirimycin)
Show SMILES CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50243651
PNG
(CHEMBL4061367)
Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50524483
PNG
(CHEMBL4435540)
Show SMILES CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1
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n/an/a 3.67E+4n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of NLGase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measu...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50243651
PNG
(CHEMBL4061367)
Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50524482
PNG
(CHEMBL4460711)
Show SMILES CCCCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m0/s1
PDB
MMDB

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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50524483
PNG
(CHEMBL4435540)
Show SMILES CCCCCCOCCCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
Show InChI InChI=1S/C17H35NO5/c1-2-3-4-7-10-23-11-8-5-6-9-18-12-15(20)17(22)16(21)14(18)13-19/h14-17,19-22H,2-13H2,1H3/t14-,15+,16-,17-/m0/s1
PDB
MMDB

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UniChem
Article
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n/an/a 6.03E+5n/an/an/an/an/an/a



University of Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of GCase in human SH-SY5Y cells using MUG-Gluc as fluorogenic substrate preincubated for 30 mins followed by substrate addition and measur...


Eur J Med Chem 175: 63-71 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.061
BindingDB Entry DOI: 10.7270/Q2TB1BBH
More data for this
Ligand-Target Pair