Ligand clusters for UniProt code Q9UM73

Ligand clusters for Q9UM73: ALK tyrosine kinase receptor from Homo sapiens

		Top 6 (of 10) ligand clusters Cluster 1. 43 ligand types 54 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 2 ligand types 7 ligands Cluster 4. 2 ligand types 11 ligands Cluster 5. 2 ligand types 5 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 3lctA

Structures

PDB		Schematic diagram
3lctA
4ctcA
5aaaA
4ccuA
4ccbA
		more ...

Cluster 1 contains 43 ligand types (of which only 20 are listed. Click for all)

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: VGH × 7 crizotinib 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1- Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine PDB codes: 2xp2(A), 2yfx(A), 4anq(A), 4ans(A), 5aaa(A), 5aab(A), 5aac(A).
		2. Ligand: 5P8 × 5 lorlatinib (10r)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15, 16,17-Tetrahydro-2h-8,4- (Metheno)pyrazolo[4,3-H][2,5, 11]benzoxadiazacyclotetradecine-3-Carbonitrile PDB codes: 4cli(A), 4clj(A), 5a9u(A), 5aa8(A), 5aa9(A).
		3. Ligand: 6GY × 2 brigatinib 5-Chloro-N~4~-[2-(Dimethylphosphoryl)phenyl]-N~2~-{2- Methoxy-4-[4-(4-Methylpiperazin-1- Yl)piperidin-1- Yl]phenyl}pyrimidine-2,4-Diamine PDB codes: 5j7h(A), 6mx8(A).
		4. Ligand: 4MK × 1 ceritinib 5-Chloro-N~2~-[5-Methyl-4-(Piperidin-4-Yl)-2-(Propan-2- Yloxy)phenyl]-N~4~-[2-(Propan-2- Ylsulfonyl) phenyl]pyrimidine-2,4-Diamine PDB code: 4mkc(A).
		5. Ligand: EMH × 1 alectinib 9-Ethyl-6,6-Dimethyl-8-[4-(Morpholin-4-Yl)piperidin-1- Yl]-11-Oxo-6,11-Dihydro-5h- Benzo[b]carbazole-3- Carbonitrile PDB code: 3aox(A).
		6. Ligand: GOL × 1 glycerin Glycerol PDB code: 3l9p(A).
		7. Ligand: YMX × 1 entrectinib Entrectinib PDB code: 5fto(A).
		8. Ligand: 0JF × 1 (3s)-N-(4-Methylbenzyl)-1-{2-[(3,4,5-Trimethoxyphenyl) amino]pyrimidin-4-Yl}piperidine-3- Carboxamide PDB code: 4dce(A).
		9. Ligand: 0US × 1 N-{1-[Cis-4-(Hydroxymethyl)cyclohexyl]-5-(Piperidin-1- Ylmethyl)-1h-Benzimidazol-2-Yl}-3-(Prop-2- En-1- Ylsulfamoyl)benzamide PDB code: 4fob(A).
		10. Ligand: 0UU × 1 Methyl cis-4-[2-(Benzoylamino)-6-(Piperidin-1- Ylmethyl)-1h-Benzimidazol-1- Yl]cyclohexanecarboxylate PDB code: 4foc(A).
		11. Ligand: 0UV × 1 4-Fluoro-N-{(2e)-6-{[4-(2-Hydroxypropan-2-Yl)piperidin- 1-Yl]methyl}-1-[Cis-4-(Propan-2- Ylcarbamoyl) cyclohexyl]-1,3-Dihydro-2h-Benzimidazol-2- Ylidene}benzamide PDB code: 4fod(A).
		12. Ligand: 34Y × 1 4-[(4-Methylpiperazin-1-Yl)methyl]-N-{3-[3-Methyl-4- ({[5-(Propan-2-Yl)-1,2-Oxazol-3- Yl]carbamoyl}amino) phenyl]-1h-Pyrazol-5-Yl}benzamide PDB code: 5iuh(A).
		13. Ligand: 3DK × 1 3-[1-(2,5-Difluorobenzyl)-1h-Pyrazol-4-Yl]-5-(1-Methyl- 1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridine PDB code: 4joa(A).
		14. Ligand: 3U9 × 1 3-[(1r)-1-(5-Fluoro-2-Methoxyphenyl)ethoxy]-5-(1- Methyl-1h-1,2,3-Triazol-5-Yl)pyridin-2-Amine PDB code: 4cnh(A).
		15. Ligand: 45Q × 1 N-[3-(4-Amino-3-Methylphenyl)-1h-Pyrazol-5-Yl]-4-[(4- Methylpiperazin-1-Yl)methyl]benzamide PDB code: 5iui(A).
		16. Ligand: 4LO × 1 N~6~-[5-Methyl-4-(1-Methylpiperidin-4-Yl)-2-(Propan-2- Yloxy)phenyl]-N~4~-[2-(Propan-2- Ylsulfonyl)phenyl]-2h- Pyrazolo[3,4-D]pyrimidine-4,6-Diamine PDB code: 4z55(A).
		17. Ligand: 571 × 1 5-[(2r)-2-Hydroxy-2-Phenylacetyl]-3-({[4-(4- Methylpiperazin-1-Yl)phenyl]carbonyl}amino)-1, 6- Dihydropyrrolo[3,4-C]pyrazol-5-Ium PDB code: 2xba(A).
		18. Ligand: 6YL × 1 2-[(1~{r})-1-[2-Azanyl-5-(1,3-Dimethylpyrazol-4-Yl) pyridin-3-Yl]oxyethyl]-4-Fluoranyl-~{N},~{N}- Dimethyl- Benzamide PDB code: 5kz0(A).
		19. Ligand: 729 × 1 N-[3-(4-{[(5-Tert-Butyl-1,2-Oxazol-3-Yl) carbamoyl]amino}-3-Methylphenyl)-1h-Pyrazol-5-Yl]-4- [(4- Methylpiperazin-1-Yl)methyl]benzamide PDB code: 5iug(A).
		20. Ligand: ADP × 1 Adenosine-5'-Diphosphate PDB code: 3lct(A).
+ more. Press for full list

Cluster 2 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: W47 × 1 1-{(1s,2s)-1-(2,4-Difluorophenyl)-2-[2-(3-Methyl-1h- Pyrazol-5-Yl)-4- (Trifluoromethyl) phenoxy]cyclopropyl}methanamine PDB code: 7jy4(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 3l9p(A), 3lcs(A), 3lct(A), 4mkc(A), 4z55(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4tt7(A), 7jyr(A).

Cluster 4 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 8 glycerin Glycerol PDB codes: 3l9p(A), 3lcs(A), 3lct(A), 4fnw(A), 4mkc(A), 4z55(A), 7jyt(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 4tt7(A), 7jyr(A), 7jys(A).

Cluster 5 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 4 glycerin Glycerol PDB codes: 4fnw(A), 4fnx(A), 4fod(A), 5ftq(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4tt7(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: COM × 1 coenzyme m 1-Thioethanesulfonic acid PDB code: 4tt7(A).