Ligand clusters for UniProt code Q00534

Ligand clusters for Q00534: Cyclin-dependent kinase 6 from Homo sapiens

		4 ligand clusters Cluster 1. 12 ligand types 13 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 2 ligands
Representative protein: 1xo2B

Structures

PDB		Schematic diagram
1xo2B
2eufB
4tthB
2f2cB
6oqlA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: LQQ × 2 palbociclib 6-Acetyl-8-Cyclopentyl-5-Methyl-2-[(5-Piperazin-1- Ylpyridin-2-Yl)amino]pyrido[2,3-D]pyrimidin- 7(8h)-One PDB codes: 2euf(B), 5l2i(A).
		2. Ligand: 6ZV × 1 abemaciclib N-{5-[(4-Ethylpiperazin-1-Yl)methyl]pyridin-2-Yl}-5- Fluoro-4-[4-Fluoro-2-Methyl-1-(Propan-2-Yl)- 1h- Benzimidazol-6-Yl]pyrimidin-2-Amine PDB code: 5l2s(A).
		3. Ligand: 6ZZ × 1 ribociclib 7-Cyclopentyl-N,N-Dimethyl-2-{[5-(Piperazin-1-Yl) pyridin-2-Yl]amino}-7h-Pyrrolo[2,3-D]pyrimidine- 6- Carboxamide PDB code: 5l2t(A).
		4. Ligand: AP9 × 1 (2s)-2-({6-[(3-Amino-5-Chlorophenyl)amino]-9-Isopropyl- 9h-Purin-2-Yl}amino)-3-Methylbutan-1-Ol PDB code: 2f2c(B).
		5. Ligand: FSE × 1 3,7,3',4'-Tetrahydroxyflavone PDB code: 1xo2(B).
		6. Ligand: 0RS × 1 {5-[4-(Dimethylamino)piperidin-1-Yl]-1h-Imidazo[4,5- B]pyridin-2-Yl}[2-(Isoquinolin-4-Yl)pyridin-4- Yl]methanone PDB code: 4ez5(A).
		7. Ligand: 24V × 1 9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4, 5]pyrrolo[1,2-D]pyrimidin-2-Amine PDB code: 4tth(B).
		8. Ligand: 3NU × 1 4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1- Methylpiperidin-4-Yl)pyrimidin-2-Amine PDB code: 3nup(A).
		9. Ligand: 3NV × 1 4-[5-Chloro-3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(5- Piperazin-1-Ylpyridin-2-Yl)pyrimidin-2-Amine PDB code: 3nux(A).
		10. Ligand: 4AU × 1 1h-Benzimidazol-2-Yl(1h-Pyrrol-2-Yl)methanone PDB code: 4aua(A).
		11. Ligand: N1A × 1 5-Fluoro-N-[5-(4-Methylpiperazin-1-Yl)pyridin-2-Yl]-4- [(4r)-4-Methyl-5,6,7,8-Tetrahydro-4h- Pyrazolo[1,5- A]azepin-3-Yl]pyrimidin-2-Amine PDB code: 6oql(A).
		12. Ligand: N1J × 1 N-[5-(6-Ethyl-2,6-Diazaspiro[3.3]heptan-2-Yl)pyridin-2- Yl]-5-Fluoro-4-[(4r)-4-Methyl-5,6,7,8- Tetrahydro-4h- Pyrazolo[1,5-A]azepin-3-Yl]pyrimidin-2-Amine PDB code: 6oqo(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 2f2c(B).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 2euf(B).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 2euf(B), 2f2c(B).