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EBI Databases Structure Databases PDBsum

Ligand clusters for UniProt code Q9NR97

Ligand clusters for Q9NR97: Toll-like receptor 8 from Homo sapiens

Top 6 (of 28) ligand clusters
Cluster 1.
23 ligand types
29 ligands
 Cluster 2.
9 ligand types
36 ligands
 Cluster 3.
20 ligand types
45 ligands
 Cluster 4.
5 ligand types
30 ligands
 Cluster 5.
3 ligand types
30 ligands
 Cluster 6.
2 ligand types
4 ligands
Representative protein: 4qbzA  
JSmol
 

Structures

PDB   Schematic diagram
4qbzA    
5awcA    
4r08A    
4r07A    
3w3nA    
 more ...

 

 Cluster 1 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand Description


 
1. Ligand: URI × 4
Uridine
PDB codes: 4r07(A), 4r08(A), 4r09(A), 4r0a(A).


 
2. Ligand: RX8 × 3
1-[4-Amino-2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin- 1-Yl]-2-Methylpropan-2-Ol
PDB codes: 3w3l(A), 3w3m(A), 3w3n(A).


 
3. Ligand: U57 × 2
(2r)-2-[(2-Amino-7-Fluoropyrido[3,2-D]pyrimidin-4-Yl) amino]-2-Methylhexan-1-Ol
PDB codes: 6wml(A),


 
4. Ligand: 7VC × 1
4-(7-Methoxyquinolin-4-Yl)-2-Methyl-Phenol
PDB code: 5z14(A).


 
5. Ligand: 7VF × 1
4-(3-Methyl-4-Oxidanyl-Phenyl)quinolin-7-Ol
PDB code: 5wyz(A).


 
6. Ligand: 7VL × 1
4-(7-Chloranylquinolin-4-Yl)-2-Methyl-Phenol
PDB code: 5z15(A).


 
7. Ligand: C09 × 1
2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine
PDB code: 3w3j(A).


 
8. Ligand: CU8 × 1
7-(3-Methylphenyl)pyrazolo[1,5-A]pyrimidine-3- Carboxamide
PDB code: 5wyx(A).


 
9. Ligand: D80 × 1
2-Butyl[1,3]oxazolo[4,5-C]quinolin-4-Amine
PDB code: 4qbz(A).


 
10. Ligand: D87 × 1
2-Butylfuro[2,3-C]quinolin-4-Amine
PDB code: 3wn4(A).


 
11. Ligand: DY3 × 1
3-[5-Methylsulfanyl-4-(3,4,5-Trimethylphenyl)-1,2,4- Triazol-3-Yl]propan-1-Ol
PDB code: 6kya(A).


 
12. Ligand: HB2 × 1
1-(4-Amino-2-Butyl-1h-Imidazo[4,5-C]quinolin-1-Yl)-2- Methylpropan-2-Ol
PDB code: 4r6a(A).


 
13. Ligand: IDQ × 1
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5- C]quinolin-4-Amine
PDB code: 5awd(A).


 
14. Ligand: L07 × 1
2-Propyl[1,3]thiazolo[4,5-C]quinolin-4-Amine
PDB code: 3w3k(A).


 
15. Ligand: M0A × 1
1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5- C]quinolin-4-Amine
PDB code: 5awb(A).


 
16. Ligand: M4D × 1
5-(4-Azanylbutyl)-3-Pentyl-Quinolin-2-Amine
PDB code: 5awc(A).


 
17. Ligand: M8D × 1
5-[[3-(Aminomethyl)phenyl]methyl]-3-Pentyl-Quinolin-2- Amine
PDB code: 5awa(A).


 
18. Ligand: MBL × 1
1-Pentyl-4-Phenyl-Imidazol-2-Amine
PDB code: 5az5(A).


 
19. Ligand: O0W × 1
5-Methyl-7-(7-Methyl-2-Piperidin-4-Yl-Indazol-5-Yl) furo[3,2-C]pyridin-4-One
PDB code: 6ty5(A).


 
20. Ligand: QLH × 1
5-[(3~{r},5~{s})-3-Azanyl-5-(Trifluoromethyl)piperidin- 1-Yl]quinoline-8-Carbonitrile
PDB code: 6zjz(A).

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 Cluster 2 contains 9 ligand types

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Ligand Description


 
1. Ligand: NAG-NAG-BMA-MAN × 12
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 3w3j(A), 4r07(A), 4r6a(A), 5awb(A), 5az5(A), 5hdh(A), 5wyx(A), 5wyz(A), 5z15(A), 6kya(A), 6wml(A),


 
2. Ligand: NAG-NAG-BMA-MAN-MAN × 11
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 3w3k(A), 3w3l(A), 3w3m(A), 3w3n(A), 3wn4(A), 4r09(A), 4r0a(A), 5awa(A), 5awd(A), 6ty5(A), 6v9u(A).


 
3. Ligand: NAG-NAG-BMA × 5
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 3w3g(A), 4qc0(A), 4r08(A), 5awc(A), 5z14(A).


 
4. Ligand: SO4 × 2
Sulfate ion
PDB codes: 3w3j(A),


 
5. Ligand: UCG × 2
3'-O-[(R)-{[(2r,3ar,4r,6r,6ar)-6-(2-Amino-6-Oxo-1,6- Dihydro-9h-Purin-9-Yl)-2-Hydroxy-2-
Oxidotetrahydrofuro[3,4-D][1,3,2]dioxaphosphol-4- Yl]methoxy}(hydroxy)phosphoryl]uridine 5'-
(Dihydrogen phosphate)
PDB codes: 4r07(A), 4r08(A).


 
6. Ligand: 06S × 1
O-[(2r,3s,4r,5r)-5-(2-Amino-6-Oxo-3,6-Dihydro-9h-Purin- 9-Yl)-2-({[(S)-({(2r,3s,4r,5r)-5-(2,4-
Dioxo-3,4- Dihydropyrimidin-1(2h)-Yl)-4-Hydroxy-2- [(Thiophosphonooxy)methyl]tetrahydrofuran-3-
Yl}oxy) (sulfanyl)phosphoryl]oxy}methyl)-4- Hydroxytetrahydrofuran-3-Yl] dihydrogen (s)-
Phosphorothioate
PDB code: 4r09(A).


 
7. Ligand: MAN × 1
Alpha-D-Mannopyranose
PDB code: 6wml(A).


 
8. Ligand: NAG-NAG-BMA-MAN-BMA × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB code: 4qbz(A).


 
9. Ligand: NAG-NAG-BMA-MAN-MAN-MAN × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB code: 6zjz(A).

 

 Cluster 3 contains 20 ligand types

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Ligand Description


 
1. Ligand: NAG × 21
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 3w3g(A), 3w3j(A), 3w3k(A), 3w3l(A), 3w3m(A), 3w3n(A), 3wn4(A), 4qbz(A), 4r07(A), 4r08(A), 4r0a(A), 4r6a(A), 5awa(A), 5awc(A), 5awd(A), 5hdh(A), 6ty5(A), 6v9u(A), 6wml(A), 6zjz(A).


 
2. Ligand: URI × 3
Uridine
PDB codes: 4r07(A), 4r08(A), 4r09(A).


 
3. Ligand: RX8 × 2
1-[4-Amino-2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin- 1-Yl]-2-Methylpropan-2-Ol
PDB codes: 3w3l(A), 3w3n(A).


 
4. Ligand: SO4 × 2
Sulfate ion
PDB codes: 3w3j(A), 3w3l(A).


 
5. Ligand: U57 × 2
(2r)-2-[(2-Amino-7-Fluoropyrido[3,2-D]pyrimidin-4-Yl) amino]-2-Methylhexan-1-Ol
PDB codes: 6wml(A),


 
6. Ligand: 7VC × 1
4-(7-Methoxyquinolin-4-Yl)-2-Methyl-Phenol
PDB code: 5z14(A).


 
7. Ligand: 7VF × 1
4-(3-Methyl-4-Oxidanyl-Phenyl)quinolin-7-Ol
PDB code: 5wyz(A).


 
8. Ligand: 7VL × 1
4-(7-Chloranylquinolin-4-Yl)-2-Methyl-Phenol
PDB code: 5z15(A).


 
9. Ligand: C09 × 1
2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine
PDB code: 3w3j(A).


 
10. Ligand: CU8 × 1
7-(3-Methylphenyl)pyrazolo[1,5-A]pyrimidine-3- Carboxamide
PDB code: 5wyx(A).


 
11. Ligand: D80 × 1
2-Butyl[1,3]oxazolo[4,5-C]quinolin-4-Amine
PDB code: 4qbz(A).


 
12. Ligand: DY3 × 1
3-[5-Methylsulfanyl-4-(3,4,5-Trimethylphenyl)-1,2,4- Triazol-3-Yl]propan-1-Ol
PDB code: 6kya(A).


 
13. Ligand: HB2 × 1
1-(4-Amino-2-Butyl-1h-Imidazo[4,5-C]quinolin-1-Yl)-2- Methylpropan-2-Ol
PDB code: 4r6a(A).


 
14. Ligand: L07 × 1
2-Propyl[1,3]thiazolo[4,5-C]quinolin-4-Amine
PDB code: 3w3k(A).


 
15. Ligand: M4D × 1
5-(4-Azanylbutyl)-3-Pentyl-Quinolin-2-Amine
PDB code: 5awc(A).


 
16. Ligand: MBL × 1
1-Pentyl-4-Phenyl-Imidazol-2-Amine
PDB code: 5az5(A).


 
17. Ligand: O0W × 1
5-Methyl-7-(7-Methyl-2-Piperidin-4-Yl-Indazol-5-Yl) furo[3,2-C]pyridin-4-One
PDB code: 6ty5(A).


 
18. Ligand: QLH × 1
5-[(3~{r},5~{s})-3-Azanyl-5-(Trifluoromethyl)piperidin- 1-Yl]quinoline-8-Carbonitrile
PDB code: 6zjz(A).


 
19. Ligand: QSM × 1
2-(3,4-Dimethoxyphenyl)-5-(Piperidin-4-Yl)-3-(Propan-2- Yl)-1h-Indole
PDB code: 6v9u(A).


 
20. Ligand: XG1 × 1
2-Butyl-2h-Pyrazolo[3,4-C]quinolin-4-Amine
PDB code: 4qc0(A).

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 Cluster 4 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG-NAG-BMA × 15
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 3w3g(A), 3w3j(A), 3wn4(A), 4qbz(A), 4qc0(A), 4r07(A), 4r08(A), 4r0a(A), 4r6a(A), 5awa(A), 5awb(A), 5awc(A), 5awd(A), 6wml(A),


 
2. Ligand: NAG-NAG-BMA-MAN-MAN × 12
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB codes: 3w3k(A), 3w3l(A), 3w3m(A), 3w3n(A), 5hdh(A), 5wyx(A), 5wyz(A), 5z14(A), 5z15(A), 6kya(A), 6ty5(A), 6v9u(A).


 
3. Ligand: NAG-NAG × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB code: 4r09(A).


 
4. Ligand: NAG-NAG-BMA-MAN × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB code: 5az5(A).


 
5. Ligand: NAG-NAG-BMA-MAN-MAN-MAN × 1
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose, MAN=Alpha-D-Mannopyranose.
PDB code: 6zjz(A).

 

 Cluster 5 contains 3 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG × 2
n-acetylglucosamine
2-Acetamido-2-Deoxy-Beta-D-Glucopyranose
PDB codes: 4qc0(A), 6wml(A).


 
2. Ligand: NAG-NAG × 18
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 3w3j(A), 4qbz(A), 4r07(A), 4r08(A), 4r09(A), 4r0a(A), 5awa(A), 5awb(A), 5awc(A), 5awd(A), 5az5(A), 5hdh(A), 5wyx(A), 5wyz(A), 5z14(A), 5z15(A), 6kya(A), 6v9u(A).


 
3. Ligand: NAG-NAG-BMA × 10
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 3w3g(A), 3w3k(A), 3w3l(A), 3w3m(A), 3w3n(A), 3wn4(A), 4r6a(A), 6ty5(A), 6wml(C), 6zjz(A).

 

 Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand Description


 
1. Ligand: NAG-NAG × 2
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose.
PDB codes: 5wyx(A), 6kya(A).


 
2. Ligand: NAG-NAG-BMA × 2
NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, BMA=Beta-D-Mannopyranose.
PDB codes: 3w3n(A), 6wml(A).

 

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