Ligand clusters for UniProt code P35790

Ligand clusters for P35790: Choline kinase alpha from Homo sapiens

		Top 6 (of 27) ligand clusters Cluster 1. 23 ligand types 34 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 3 ligand types 6 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 2 ligands
Representative protein: 5futA

Structures

PDB		Schematic diagram
5futA
3g15A
3f2rA
5afvA
5eqpA
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Cluster 1 contains 23 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 2ckp(A).
		2. Ligand: DTT × 1 2,3-Dihydroxy-1,4-Dithiobutane PDB code: 2cko(A).
		3. Ligand: EDO × 5 1,2-Ethanediol PDB codes: 5afv(A), 5ftg(A), 5fut(A),
		4. Ligand: HC6 × 4 (2s,2'S)-2,2'-Biphenyl-4,4'-Diylbis(2-Hydroxy-4,4- Dimethylmorpholin-4-Ium) PDB codes: 3f2r(A), 3g15(A),
		5. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 3g15(A),
		6. Ligand: 0H7 × 2 (3r)-1-Azabicyclo[2.2.2]oct-3-Yl[bis(5-Chlorothiophen- 2-Yl)]methanol PDB codes: 4da5(A),
		7. Ligand: QTH × 2 1-[(4-Phenylphenyl)methyl]-4-Pyrrolidin-1-Yl-Pyridine PDB codes: 7a06(A),
		8. Ligand: SO4 × 2 Sulfate ion PDB codes: 3g15(A),
		9. Ligand: 5R8 × 1 [4-[(4-Methyl-1,4-Diazepan-1-Yl) methyl]phenyl]methanamine PDB code: 5eqe(A).
		10. Ligand: 5R9 × 1 6-[(4-Methyl-1,4-Diazepan-1-Yl)methyl]quinoline PDB code: 5eqp(A).
		11. Ligand: 5RA × 1 5-[(4-Methyl-1,4-Diazepan-1-Yl)methyl]-2-[4-[(4-Methyl- 1,4-Diazepan-1- Yl)methyl]phenyl]benzenecarbonitrile PDB code: 5eqy(A).
		12. Ligand: 9X1 × 1 1,1'-[[1,1'-Biphenyl]-4,4'-Diylbis(methylene)]bis{4- [(4-Chlorophenyl)(methyl)amino]quinolin-1-Ium} PDB code: 5w6o(A).
		13. Ligand: A4V × 1 3-Benzyladenine PDB code: 4br3(A).
		14. Ligand: G8S × 1 4-[(4-Chlorophenyl)(methyl)amino]-1-{4-[4-(4- {[4-(Dimethylamino)pyridinium-1- Yl]methyl} phenyl)butyl]benzyl}pyridinium PDB code: 4cg8(A).
		15. Ligand: GQG × 1 N,N-Dimethyl-1-[(4-Phenylphenyl)methyl] pyridin-1-Ium-4-Amine PDB code: 4cg9(A).
		16. Ligand: JH5 × 1 1-Benzyl-4-(Benzylamino)-1h-1,2,4-Triazol-4-Ium PDB code: 5afv(A).
		17. Ligand: MES × 1 2-(N-Morpholino)-Ethanesulfonic acid PDB code: 5w6o(A).
		18. Ligand: NBR × 1 1-[[4-[2-[4-[[4-(Dimethylamino)pyridin-1- Yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-Dimethyl- Pyridin-4-Amine PDB code: 5ftg(A).
		19. Ligand: PQ7 × 1 4-(Dimethylamino)-1-{4-[4-(4-{[4-(Pyrrolidin-1-Yl) pyridinium-1- Yl]methyl}phenyl)butyl]benzyl}pyridinium PDB code: 5fut(A).
		20. Ligand: QLW × 1 N,N-Dimethyl-1-[[4-(2-Phenylethyl)phenyl] methyl]pyridin-1-Ium-4-Amine PDB code: 4cga(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: 9X1 × 1 1,1'-[[1,1'-Biphenyl]-4,4'-Diylbis(methylene)]bis{4- [(4-Chlorophenyl)(methyl)amino]quinolin-1-Ium} PDB code: 5w6o(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 5fut(A), 7a06(A),
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 4da5(A),
		3. Ligand: G8V × 1 1-Benzyl-4-(Dimethylamino)pyridinium PDB code: 4cg8(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5afv(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5afv(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5afv(A), 5fut(A).