Ligand clusters for UniProt code P24941

Ligand clusters for P24941: Cyclin-dependent kinase 2 from Homo sapiens

		Top 6 (of 24) ligand clusters Cluster 1. 78 ligand types 132 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 3 ligand types 3 ligands Cluster 5. 2 ligand types 3 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 4gcjA

Structures

PDB		Schematic diagram
4gcjA
3py1A
3pxzA
3pxfA
4ez7A
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Cluster 1 contains 78 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: 2AN × 11 8-Anilino-1-Naphthalene sulfonate PDB codes: 3pxf(A), 3pxq(A), 3pxz(A), 3py1(A), 4ez7(A),
		2. Ligand: ATP × 9 Adenosine-5'-Triphosphate PDB codes: 1qmz(A), 2cch(A), 2cci(A), 4eoj(A), 4eom(A), 4eoo(A), 4eoq(A),
		3. Ligand: 4SP × 8 O6-Cyclohexylmethoxy-2-(4'-Sulphamoylanilino) purine PDB codes: 1h1s(A), 2iw8(A), 2iw9(A), 4eok(A), 4eor(A),
		4. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 3pxf(A), 4ez7(A), 4gcj(A), 6q4k(A).
		5. Ligand: 1RO × 5 (5e)-5-(Quinolin-6-Ylmethylidene)-2-[(Thiophen-2- Ylmethyl)amino]-1,3-Thiazol-4(5h)-One PDB codes: 4eoi(A), 4eol(A), 4eon(A), 4eop(A), 4eos(A).
		6. Ligand: 2WC × 2 3-[2-Azanyl-6-(Cyclohexylmethoxy)-7h-Purin-8- Yl]-2-Methyl-Benzoic acid PDB codes: 4cfu(A),
		7. Ligand: 4QE × 2 6-(Cyclohexylmethoxy)-8-(2-Methylphenyl)-9h- Purin-2-Amine PDB codes: 4cfm(A),
		8. Ligand: 6ZK × 2 4-[4-[3-Bromanyl-7-(Pyridin-3-Ylmethylamino)pyrazolo[1, 5-A]pyrimidin-5-Yl]phenyl]benzamide PDB codes: 5lmk(A),
		9. Ligand: 75X × 2 3-[2-Amino-6-(Cyclohexylmethoxy)-7h-Purin-8- Yl]-2-Methylphenol PDB codes: 4cfv(A),
		10. Ligand: ADP × 2 Adenosine-5'-Diphosphate PDB codes: 3qhr(A), 3qhw(A).
		11. Ligand: FB8 × 2 4-(2-Methyl-3-Propan-2-Yl-Imidazol-4-Yl)-~{N}-(4- Methylsulfonylphenyl)pyrimidin-2-Amine PDB codes: 6gue(A), 6guh(A).
		12. Ligand: MFR × 2 4-(4-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2- Amine PDB codes: 3bht(A),
		13. Ligand: MGF × 2 Trifluoromagnesate PDB codes: 3qhr(A), 3qhw(A).
		14. Ligand: MHR × 2 4-(4-Propoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyrimidin-2- Amine PDB codes: 3bhu(A),
		15. Ligand: N76 × 2 3-(6-Cyclohexylmethoxy-9h-Purin-2-Ylamino)- Benzenesulfonamide PDB codes: 1oiu(A),
		16. Ligand: NNN × 2 (2r)-2-{[4-(Benzylamino)-8-(1-Methylethyl)pyrazolo[1, 5-A][1,3,5]triazin-2-Yl]amino}butan-1-Ol PDB codes: 3dog(A),
		17. Ligand: NU5 × 2 3-({2-[(4-{[6-(Cyclohexylmethoxy)-9h-Purin-2- Yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-Ol PDB codes: 2g9x(A),
		18. Ligand: PRO-LYS-THR-PRO-LYS-LYS-ALA-LYS-LYS-LEU × 2 PDB codes: 3qhr(A), 3qhw(A).
		19. Ligand: RFZ × 2 5,6-Dichloro-1-Beta-D-Ribofuranosyl-1h-Benzimidazole PDB codes: 3my5(A),
		20. Ligand: RRC × 2 R-Roscovitine PDB codes: 3ddq(A),
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3pxf(A).
		2. Ligand: HHW × 1 (~{E})-3-[3-[(4-Chlorophenyl)carbamoyl]phenyl]prop-2- Enoic acid PDB code: 6q4k(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: HHW × 1 (~{E})-3-[3-[(4-Chlorophenyl)carbamoyl]phenyl]prop-2- Enoic acid PDB code: 6q4k(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qhr(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 7rwf(A).
		3. Ligand: HEW × 1 4-Bromanylpyridin-2-Amine PDB code: 6q3f(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3qhr(A),
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 7ack(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5l2w(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6guh(A).