Ligand clusters for UniProt code P52333

Ligand clusters for P52333: Tyrosine-protein kinase JAK3 from Homo sapiens

		Top 6 (of 20) ligand clusters Cluster 1. 43 ligand types 54 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 9 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 2 ligand types 4 ligands
Representative protein: 6gl9A

Structures

PDB		Schematic diagram
6gl9A
6glaA
6glbA
5lwnA
4hvgA
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Cluster 1 contains 43 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: MI1 × 1 tofacitinib 3-{(3r,4r)-4-Methyl-3-[Methyl(7h-Pyrrolo[2,3- D]pyrimidin-4-Yl)amino]piperidin-1-Yl}-3- Oxopropanenitrile PDB code: 3lxk(A).
		2. Ligand: 4ST × 1 1,2,3,4-Tetrahydrogen-Staurosporine PDB code: 1yvj(A).
		3. Ligand: DTV × 1 (2s,3s)-1,4-Dimercaptobutane-2,3-Diol PDB code: 1yvj(A).
		4. Ligand: EDO × 8 1,2-Ethanediol PDB codes: 5lwm(A), 5lwn(A), 6gl9(A), 6gla(A), 7apf(A), 7apg(A),
		5. Ligand: SO4 × 4 Sulfate ion PDB codes: 5toz(A), 5ttu(A), 6dud(A).
		6. Ligand: 37Q × 2 N-{1-[6-(Phenylamino)pyrazin-2-Yl]-1h-Benzimidazol-6- Yl}prop-2-Enamide PDB codes: 4qps(C),
		7. Ligand: 19Q × 1 2-Cyclopropyl-N-[(2s)-3-Hydroxy-3-Methylbutan-2-Yl]-5h- Pyrrolo[2,3-B]pyrazine-7-Carboxamide PDB code: 4hvg(A).
		8. Ligand: 19R × 1 2-Cyclopropyl-N-[(2r)-3-Hydroxy-3-Methylbutan-2-Yl]-5h- Pyrrolo[2,3-B]pyrazine-7-Carboxamide PDB code: 4hvh(A).
		9. Ligand: 19S × 1 2-Cyclopropyl-N-[(2r)-1-Oxo-1-(Piperidin-1-Yl)propan-2- Yl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide PDB code: 4hvi(A).
		10. Ligand: 1DT × 1 N-[(1s)-1-Cyclopropylethyl]-2-Phenoxy-5h-Pyrrolo[2,3- B]pyrazine-7-Carboxamide PDB code: 4i6q(A).
		11. Ligand: 1NX × 1 2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5- Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h- Pyrrolo[2,3- B]pyrazine-7-Carboxamide PDB code: 3zep(A).
		12. Ligand: 3C9 × 1 1-{(3s)-1-[(2-Methylpropyl)sulfonyl]piperidin-3-Yl}-3- (5h-Pyrrolo[2,3-B]pyrazin-2-Yl)urea PDB code: 4qt1(A).
		13. Ligand: 3QX × 1 4-{[(1r,2s)-2-Fluoro-2- Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3- Carboxamide PDB code: 4rio(A).
		14. Ligand: 4LH × 1 N-(3-{[(5-Chloro-2-{[2-Methoxy-4-(4-Methylpiperazin-1- Yl)phenyl]amino}pyrimidin-4- Yl)amino]methyl}phenyl) prop-2-Enamide PDB code: 4z16(A).
		15. Ligand: 79R × 1 (~{Z})-2-Cyano-~{N},~{N}-Dimethyl-3-[5-[3-[(1~{s}, 2~{r})-2-Methylcyclohexyl]-3,5,8,10- Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11- Pentaen-4-Yl]furan-2-Yl]prop-2-Enamide PDB code: 5lwn(A).
		16. Ligand: 79S × 1 (2~{s})-2-Cyano-~{N},~{N}-Dimethyl-3-[5-[3-[(1~{s}, 2~{r})-2-Methylcyclohexyl]-3,5,8,10- Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11- Pentaen-4-Yl]furan-2-Yl]propanamide PDB code: 5lwn(A).
		17. Ligand: 79T × 1 2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10- Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11- Pentaen-4- Yl)furan-2-Yl]-~{N},~{N}-Dimethyl-Prop-2- Enamide PDB code: 5lwm(A).
		18. Ligand: 7H4 × 1 1-{(2s,5r)-2-Methyl-5-[(7h-Pyrrolo[2,3-D]pyrimidin-4- Yl)amino]piperidin-1-Yl}propan-1-One PDB code: 5toz(A).
		19. Ligand: 7KU × 1 1-{(3r)-3-[(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl) amino]piperidin-1-Yl}propan-1-One PDB code: 5tts(A).
		20. Ligand: 7KV × 1 1-[(3ar,7ar)-1-(7h-Pyrrolo[2,3-D]pyrimidin-4-Yl) octahydro-6h-Pyrrolo[2,3-C]pyridin-6-Yl]propan-1- One PDB code: 5ttu(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: GYW × 1 3-[7-(2-Hydroxyethyl)-9-(Oxan-4-Yl)-8-Oxidanylidene- Purin-2-Yl]imidazo[1,2-A]pyridine-6- Carbonitrile PDB code: 6hzv(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PHU × 9 1-Phenylurea PDB codes: 4hvd(A), 4i6q(A), 5lwm(A), 5lwn(A), 6gl9(A), 6gla(A), 6glb(A), 7apf(A), 7apg(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6gl9(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6gla(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: DTV × 1 (2s,3s)-1,4-Dimercaptobutane-2,3-Diol PDB code: 1yvj(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 6gl9(A), 6gla(A), 6glb(A).
_Cl		2. Metal: _CL × 1 PDB code: 3zc6(A).