Ligand clusters for UniProt code Q9NWZ3

Ligand clusters for Q9NWZ3: Interleukin-1 receptor-associated kinase 4 from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 56 ligand types 79 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 7 ligands Cluster 5. 1 ligand type 6 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 2nruA

Structures

PDB		Schematic diagram
2nruA
6egeA
7c2wA
6f3gB
6egeD
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Cluster 1 contains 56 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: 0LI × 1 ponatinib 3-(Imidazo[1,2-B]pyridazin-3-Ylethynyl)-4-Methyl-N-{4- [(4-Methylpiperazin-1-Yl)methyl]-3- (Trifluoromethyl) phenyl}benzamide PDB code: 6eg9(A).
_Mg		2. Metal: _MG × 1 PDB code: 6egf(B).
		3. Ligand: ANP × 3 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 2oid(A),
		4. Ligand: STU × 1 Staurosporine PDB code: 2oic(A).
		5. Ligand: ANP × 1 Phosphoaminophosphonic acid-Adenylate ester PDB code: 6egf(B).
		6. Ligand: SO4 × 4 Sulfate ion PDB codes: 4u97(A), 4u9a(A), 5k7g(A), 6egf(B).
		7. Ligand: STU × 3 Staurosporine PDB codes: 2nry(A), 4u97(A), 4u9a(A).
		8. Ligand: 6QX × 3 ~{N}1-(7,8-Dihydro-6~{h}-Cyclopenta[2,3]thieno[2,4- ~{C}]pyrimidin-1-Yl)-~{N}4,~{N}4-Dimethyl- Cyclohexane- 1,4-Diamine PDB codes: 5k75(A),
		9. Ligand: 8BV × 3 2-[(Propan-2-Yl)oxy]benzamide PDB codes: 5uiq(A),
		10. Ligand: 8C1 × 3 4-{[(3r)-Piperidin-3-Yl]oxy}-6-[(Propan-2-Yl) oxy]quinoline-7-Carboxamide PDB codes: 5uis(A),
		11. Ligand: 6R1 × 2 ~{N}-(4-Morpholin-4-Ylcyclohexyl)-5-(Oxan-4-Yl)-7~{h}- Pyrrolo[2,3-D]pyrimidin-4-Amine PDB codes: 5k76(A),
		12. Ligand: 8BY × 2 5-(4-Cyanophenyl)-3-[(Propan-2-Yl)oxy]naphthalene-2- Carboxamide PDB codes: 5uir(A),
		13. Ligand: 9YY × 2 4-(Benzylamino)-6-[(2-Oxo-2,3-Dihydro-1h-Indol-5-Yl) amino]pyridine-3-Carboxamide PDB codes: 5w84(A),
		14. Ligand: CJN × 2 ~{N}4,~{N}4-Dimethyl-~{N}1-(5-Propan-2-Ylpyrrolo[3,2- D]pyrimidin-4-Yl)cyclohexane-1,4-Diamine PDB codes: 6f3g(A),
		15. Ligand: CJQ × 2 2-[(3~{r})-12-(4-Morpholin-4-Ylcyclohexyl)oxy-7-Thia-9, 11-Diazatricyclo[6.4.0.0^{2,6}]dodeca- 1(8),2(6),9,11- Tetraen-3-Yl]ethanamide PDB codes: 6f3e(A),
		16. Ligand: CKN × 2 (3~{r})-3-[4-[[4-(4-Ethanoylpiperazin-1-Yl) cyclohexyl]amino]pyrrolo[2,1-F][1,2,4]triazin-5- Yl]butanamide PDB codes: 6f3i(A),
		17. Ligand: DL1 × 2 N-[2-Methoxy-4-(Morpholin-4-Yl)phenyl]-6-(1h-Pyrazol-5- Yl)pyridine-2-Carboxamide PDB codes: 6ege(D),
		18. Ligand: K1E × 2 Methyl 4-[4-[[6-(Cyanomethyl)-2-[(1-Methylpyrazol-4- Yl)amino]pyrido[3,2-D]pyrimidin-4- Yl]amino]cyclohexyl]piperazine-1-Carboxylate PDB codes: 6rfj(A),
		19. Ligand: K1H × 2 Methyl 4-[4-[(6-Cyanoquinazolin-4-Yl) amino]cyclohexyl]piperazine-1-Carboxylate PDB codes: 6rfi(A),
		20. Ligand: NB5 × 2 7-Fluoranyl-~{N}-[1-(2-Methyl-2-Azaspiro[3.3]heptan-6- Yl)pyrazol-4-Yl]-4-(1-Methylcyclopropyl)oxy- 6-(2- Methylpyrimidin-5-Yl)pyrido[3,2-D]pyrimidin-2-Amine PDB codes: 6thz(A),
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: ND2 × 1 4-(1-Methylcyclopropyl)oxy-~{N}-[1-(1-Methylpiperidin- 4-Yl)pyrazol-4-Yl]-6-(1-Methylpyrazol-4- Yl)pyrido[3,2- D]pyrimidin-2-Amine PDB code: 6tia(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6o8u(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 7 Sulfate ion PDB codes: 2nru(A), 5k72(A), 5k75(A), 6f3e(A), 6o95(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 6 Sulfate ion PDB codes: 5k72(A), 5k75(D), 5k7g(A), 6eg9(A), 6ega(A), 6f3d(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 5k75(B), 6vql(A).