Ligand clusters for UniProt code Q99683

Ligand clusters for Q99683: Mitogen-activated protein kinase kinase kinase 5 from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 24 ligand types 44 ligands Cluster 2. 3 ligand types 7 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5vilA

Structures

PDB		Schematic diagram
5vilA
5vioA
5up3A
5v19B
6e2oA
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Cluster 1 contains 24 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5vil(A).
		2. Ligand: STU × 1 Staurosporine PDB code: 2clq(A).
		3. Ligand: NJV × 8 5-(4-Cyclopropyl-1h-Imidazol-1-Yl)-2-Fluoro-4-Methyl-N- {6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3- Yl]pyridin-2- Yl}benzamide PDB codes: 6oyt(A),
		4. Ligand: KK8 × 4 N-[3-(4-Cyclopropyl-4h-1,2,4-Triazol-3-Yl)phenyl][3,4'- Bipyridine]-2'-Carboxamide PDB codes: 6e2n(A),
		5. Ligand: S0L × 4 4-(4-Cyclopropyl-1h-Imidazol-1-Yl)-N-[3-(4-Cyclopropyl- 4h-1,2,4-Triazol-3-Yl)phenyl]pyridine-2- Carboxamide PDB codes: 6e2o(A),
		6. Ligand: 8GS × 2 2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2- Yl}-2,3-Dihydro-1h-Isoindol-1-One PDB codes: 5up3(A),
		7. Ligand: 8GV × 2 6-{[(2s)-4-Methylmorpholin-2-Yl]methoxy}-2-{6-[4- (Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2- Yl}-2,3- Dihydro-1h-Isoindol-1-One PDB codes: 5uor(A),
		8. Ligand: 8V4 × 2 N-(1-Ethyl-1h-Pyrazol-4-Yl)furan-3-Carboxamide PDB codes: 5v19(A),
		9. Ligand: 8V7 × 2 2-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]-N-(Pyridin-2- Yl)-1,3-Thiazole-4-Carboxamide PDB codes: 5v24(A),
		10. Ligand: 9E1 × 2 2-Methoxy-N-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3- Yl]pyridin-2-Yl}-5-Sulfamoylbenzamide PDB codes: 5vil(A),
		11. Ligand: 9E4 × 2 4-Methoxy-N~1~-Methyl-N~3~-{6-[4-(Propan-2-Yl)-4h-1,2, 4-Triazol-3-Yl]pyridin-2-Yl}benzene-1,3- Dicarboxamide PDB codes: 5vio(A),
		12. Ligand: KK7 × 2 N-[3-(4-Methyl-4h-1,2,4-Triazol-3-Yl)phenyl]pyridine-2- Carboxamide PDB codes: 6e2m(A),
		13. Ligand: STU × 1 Staurosporine PDB code: 4bf2(A).
		14. Ligand: 8GY × 1 2-(6-{4-[(2r)-1-Hydroxypropan-2-Yl]-4h-1,2,4-Triazol-3- Yl}pyridin-2-Yl)-6-[(Propan-2-Yl)oxy]-2,3- Dihydro-1h- Isoindol-1-One PDB code: 5uox(A).
		15. Ligand: BH9 × 1 4-Tert-Butyl-N-[6-(1h-Pyrazol-4-Yl)imidazo[1, 2-A]pyridin-2-Yl]benzamide PDB code: 4bhn(A).
		16. Ligand: IE4 × 1 N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin- 3-Yl}thiophene-2-Sulfonamide PDB code: 4bic(A).
		17. Ligand: IE6 × 1 N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3- B]pyridin-4-Yl}thiophene-2-Sulfonamide PDB code: 4bie(A).
		18. Ligand: IE8 × 1 5-[(1r)-2-Amino-1-Phenylethoxy]-2-(Furan-3- Yl)-3-{1h-Pyrrolo[2,3-B]pyridin-3-Yl} pyridine PDB code: 4bid(A).
		19. Ligand: IEO × 1 3-Cyano-4-(Piperidin-4-Yloxy)-1h-Indole-7- Carboxamide PDB code: 4bib(A).
		20. Ligand: IM6 × 1 4-Tert-Butyl-N-[6-(1h-Imidazol-1-Yl)imidazo[1,2- A]pyridin-2-Yl]benzamide PDB code: 3vw6(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4bf2(A), 4bhn(A), 4bic(A), 4bie(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5vil(A).
		3. Ligand: ACT × 2 Acetate ion PDB codes: 4bib(A), 4bid(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 4bib(A),
		2. Ligand: ACT × 1 Acetate ion PDB code: 4bib(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 5uor(B).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5vil(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 6oyt(A).