Ligand clusters for UniProt code Q96RR4

Ligand clusters for Q96RR4: Calcium/calmodulin-dependent protein kinase kinase 2 from Homo sapiens

		Top 6 (of 13) ligand clusters Cluster 1. 18 ligand types 18 ligands Cluster 2. 1 ligand type 2 ligands Cluster 3. 1 ligand type 5 ligands Cluster 4. 1 ligand type 5 ligands Cluster 5. 1 ligand type 5 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 6cmjA

Structures

PDB		Schematic diagram
6cmjA
5yvaA
5yvbA
5uyjA
5yvcA
		more ...

Cluster 1 contains 18 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5yv8(A).
		2. Ligand: 34U × 1 1-{2-[5-(2-Methoxyethoxy)-1h-Benzimidazol-1- Yl]quinolin-8-Yl}piperidin-4-Amine PDB code: 6ble(A).
		3. Ligand: 609 × 1 7-Oxo-7h-Benzimidazo[2,1-A]benz[de]isoquinoline-3- Carboxylic acid PDB code: 2zv2(A).
		4. Ligand: 6T2 × 1 1-(2-{5-[(3-Methyloxetan-3-Yl)methoxy]-1h-Benzimidazol- 1-Yl}quinolin-8-Yl)piperidin-4-Amine PDB code: 6bqp(A).
		5. Ligand: 8R4 × 1 2-Cyclopentyl-4-(5-Phenylfuro[2,3-B]pyridin-3-Yl) benzoic acid PDB code: 5uy6(A).
		6. Ligand: 8R7 × 1 2-Cyclopentyl-4-(7-Methoxyquinolin-4-Yl)benzoic acid PDB code: 5uyj(A).
		7. Ligand: 91L × 1 1-Amino-4-Hydroxy-9,10-Dioxo-9,10-Dihydroanthracene-2- Carboxylic acid PDB code: 5yv8(A).
		8. Ligand: 91O × 1 5-Chloro-2-Methoxy-4[(1z)-3-(4-Methoxyphenyl)-3- Oxoprop-1-En-1-Yl]aminobenzoic acid PDB code: 5yv9(A).
		9. Ligand: 91X × 1 3-(1h-Tetrazol-5-Yl)-10lambda~6~-Thioxanthene-9,10,10- Trione PDB code: 5yva(A).
		10. Ligand: 92C × 1 (3z)-5-Chloro-3-[(1-Methyl-1h-Pyrazol-4-Yl) methylidene]-1,3-Dihydro-2h-Indol-2-One PDB code: 5yvb(A).
		11. Ligand: 9JS × 1 4-({5-[(3-Hydroxy-4-Methylphenyl)amino]-4-Oxo-4h-1,2,6- Thiadiazin-3-Yl}amino)benzamide PDB code: 5vt1(A).
		12. Ligand: ACT × 1 Acetate ion PDB code: 6bql(A).
		13. Ligand: BI9 × 1 2-({5-Chloro-2-[(2-Methoxy-4-Morpholin-4-Ylphenyl) amino]pyrimidin-4-Yl}amino)-N-Methylbenzamide PDB code: 6bql(A).
		14. Ligand: DXV × 1 2-Cyclopentyl-4-(5-Phenyl-1h-Pyrrolo[2,3-B]pyridin-3- Yl)benzoic acid PDB code: 6bku(A).
		15. Ligand: E5J × 1 5-Chloro-N~2~-{4-[4-(Dimethylamino)piperidin-1-Yl]-2- Methoxyphenyl}-N~4~-[2- (Dimethylphosphoryl) phenyl]pyrimidine-2,4-Diamine PDB code: 6brc(A).
		16. Ligand: F6J × 1 2-(2-Methylpropyl)-4-(5-Phenyl-1h-Pyrrolo[2,3- B]pyridin-3-Yl)benzoic acid PDB code: 6cmj(A).
		17. Ligand: R78 × 1 4-{[(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-6-Oxo-5,6,7,8- Tetrahydropteridin-2-Yl]amino}-3-Methoxy-N- (1- Methylpiperidin-4-Yl)benzamide PDB code: 6bqq(A).
		18. Ligand: SU6 × 1 3-{2,4-Dimethyl-5-[(Z)-(2-Oxo-1,2-Dihydro-3h-Indol-3- Ylidene)methyl]-1h-Pyrrol-3-Yl}propanoic acid PDB code: 5yvc(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: PGE × 2 Triethylene glycol PDB codes: 5yvb(A), 5yvc(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 5yv8(A), 5yv9(A), 5yva(A), 5yvb(A), 5yvc(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 5yv8(A), 5yva(A), 5yvb(A), 5yvc(A), 6ble(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 5yv8(A), 5yv9(A), 5yva(A), 5yvb(A), 5yvc(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5yvb(A).