Ligand clusters for UniProt code P49336

Ligand clusters for P49336: Cyclin-dependent kinase 8 from Homo sapiens

		Top 6 (of 21) ligand clusters Cluster 1. 31 ligand types 36 ligands Cluster 2. 3 ligand types 15 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 2 ligand types 5 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 5xs2A

Structures

PDB		Schematic diagram
5xs2A
5hbeA
5icpA
5ceiA
5idpA
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Cluster 1 contains 31 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4f6w(A), 5fgk(A), 5hbe(A).
		2. Ligand: BAX × 1 sorafenib 4-{4-[({[4-Chloro-3-(Trifluoromethyl) phenyl]amino}carbonyl)amino]phenoxy}-N-Methylpyridine- 2- Carboxamide PDB code: 3rgf(A).
		3. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 4f6s(A), 4f7s(A), 5icp(A).
		4. Ligand: JRE × 2 6-[5-Chloranyl-4-[(1~{s})-1-Oxidanylethyl]pyridin-3- Yl]-3,4-Dihydro-2~{h}-1,8-Naphthyridine-1- Carboxamide PDB codes: 6r3s(A), 6y0a(A).
		5. Ligand: 0SO × 1 Tert-Butyl [3-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h- Pyrazol-5-Yl]carbamoyl}amino)propyl]carbamate PDB code: 4f7l(A).
		6. Ligand: 0SQ × 1 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea PDB code: 4f6s(A).
		7. Ligand: 0SR × 1 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3- [3-(Morpholin-4-Yl)propyl]urea PDB code: 4f6u(A).
		8. Ligand: 0SS × 1 N-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-4- [2-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h- Pyrazol-5- Yl]carbamoyl}amino)ethyl]piperazine-1-Carboxamide PDB code: 4f6w(A).
		9. Ligand: 0ST × 1 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3- [2-(Morpholin-4-Yl)ethyl]urea PDB code: 4f70(A).
		10. Ligand: 0SU × 1 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3- (2-Hydroxyethyl)urea PDB code: 4f7j(A).
		11. Ligand: 0SV × 1 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3- (5-Hydroxypentyl)urea PDB code: 4f7n(A).
		12. Ligand: 0SW × 1 N-(2-Phenylethyl)quinazolin-4-Amine PDB code: 4f7s(A).
		13. Ligand: 4TV × 1 8-{3-Chloro-5-[4-(1-Methyl-1h-Pyrazol-4-Yl) phenyl]pyridin-4-Yl}-2,8-Diazaspiro[4.5]decan-1-One PDB code: 5bnj(A).
		14. Ligand: 50R × 1 4-(4-Iodophenoxy)-N-Methylthieno[2,3-C]pyridine-2- Carboxamide PDB code: 5cei(A).
		15. Ligand: 5XG × 1 8-[3-(3-Azanyl-2~{h}-Indazol-6-Yl)-5-Chloranyl-Pyridin- 4-Yl]-2,8-Diazaspiro[4.5]decan-1-One PDB code: 5fgk(A).
		16. Ligand: 5Y6 × 1 8-[3-Chloranyl-5-[1-Methyl-2,2-Bis(oxidanylidene)- 3~{h}-2,1-Benzothiazol-5-Yl]pyridin-4-Yl]-1-Oxa- 3,8- Diazaspiro[4.5]decan-2-One PDB code: 5hbe(A).
		17. Ligand: 5Y7 × 1 5-[5-Chloranyl-4-[1-(2-Methoxyethyl)-1,8- Diazaspiro[4.5]decan-8-Yl]pyridin-3-Yl]-1-Methyl- 3~{h}- 2,1-Benzothiazole 2,2-Dioxide PDB code: 5hbh(A).
		18. Ligand: 5Y8 × 1 8-[2-Azanyl-3-Chloranyl-5-(1-Methylindazol-5-Yl) pyridin-4-Yl]-2,8-Diazaspiro[4.5]decan-1-One PDB code: 5hbj(A).
		19. Ligand: 62M × 1 [6-Hydroxy-3-(3-Methylbenzyl)-1h-Indazol-5-Yl][(3s)-3- Hydroxypyrrolidin-1-Yl]methanone PDB code: 5hnb(A).
		20. Ligand: 66X × 1 N-{(3s)-1-[2-(Methylamino)pyrimidin-4-Yl]pyrrolidin-3- Yl}-N'-{4-[(Morpholin-4-Yl)methyl]-3- (Trifluoromethyl)phenyl}urea PDB code: 5hvy(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 5xqx(A), 5xs2(A).
		2. Ligand: EDO × 12 1,2-Ethanediol PDB codes: 4f6u(A), 4f6w(A), 4f7j(A), 4f7n(A), 4f7s(A), 5cei(A), 5icp(A), 6r3s(A), 6y0a(A).
		3. Ligand: NZ5 × 1 (2~{r})-Butane-1,2-Diol PDB code: 6tpa(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 3rgf(A), 4f6w(A).
		2. Ligand: NZ5 × 1 (2~{r})-Butane-1,2-Diol PDB code: 6tpa(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 3rgf(A), 4f7s(A), 5cei(A), 5idn(A).
		2. Ligand: NZ5 × 1 (2~{r})-Butane-1,2-Diol PDB code: 6tpa(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5xqx(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 4f7s(A), 5fgk(A), 5hbh(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5cei(A).
_Na		2. Metal: _NA × 1 PDB code: 4f6u(A).