Ligand clusters for UniProt code P35557

Ligand clusters for P35557: Hexokinase-4 from Homo sapiens

		Top 6 (of 8) ligand clusters Cluster 1. 25 ligand types 28 ligands Cluster 2. 7 ligand types 37 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 3idhA

Structures

PDB		Schematic diagram
3idhA
3f9mA
1v4sA
6e0eA
4mlhA
		more ...

Cluster 1 contains 25 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: MRK × 3 2-Amino-4-Fluoro-5-[(1-Methyl-1h-Imidazol-2-Yl) sulfanyl]-N-(1,3-Thiazol-2-Yl)benzamide PDB codes: 1v4s(A), 3f9m(A), 3id8(A).
		2. Ligand: S41 × 2 N,N-Dimethyl-5-({2-Methyl-6-[(5-Methylpyrazin-2-Yl) carbamoyl]-1-Benzofuran-4-Yl}oxy)pyrimidine-2- Carboxamide PDB codes: 3s41(A), 4dhy(A).
		3. Ligand: 0H4 × 1 (2s)-3-Cyclopentyl-N-(5-Methylpyridin-2-Yl)-2-[2-Oxo-4- (Trifluoromethyl)pyridin-1(2h)- Yl]propanamide PDB code: 3vev(A).
		4. Ligand: 0H5 × 1 6-Methoxy-N-(1-Methyl-1h-Pyrazol-3-Yl)quinazolin-4- Amine PDB code: 3vey(A).
		5. Ligand: 0H6 × 1 6-({(2s)-3-Cyclopentyl-2-[4-(Trifluoromethyl)-1h- Imidazol-1-Yl]propanoyl}amino)pyridine-3- Carboxylic acid PDB code: 3vf6(A).
		6. Ligand: 1FW × 1 (2s)-3-Cyclohexyl-2-(6-Fluoro-4-Oxoquinazolin-3(4h)- Yl)-N-(1,3-Thiazol-2-Yl)propanamide PDB code: 4ise(A).
		7. Ligand: 1FX × 1 (2s)-3-Cyclohexyl-2-(6-Fluoro-2,4-Dioxo-1,4- Dihydroquinazolin-3(2h)-Yl)-N-(1,3-Thiazol-2- Yl) propanamide PDB code: 4isf(A).
		8. Ligand: 1FY × 1 (2s)-3-Cyclohexyl-2-[4-(Methylsulfonyl)-2-Oxopiperazin- 1-Yl]-N-(1,3-Thiazol-2-Yl)propanamide PDB code: 4isg(A).
		9. Ligand: 1J9 × 1 (2s)-2-{[1-(2-Chlorophenyl)-1h-Pyrazolo[3,4- D]pyrimidin-4-Yl]oxy}-N-(5-Chloropyridin-2-Yl)-3-(2- Hydroxyethoxy)propanamide PDB code: 4iwv(A).
		10. Ligand: 1JD × 1 (2s)-2-{[1-(3-Chloropyridin-2-Yl)-1h-Pyrazolo[3,4- D]pyrimidin-4-Yl]oxy}-N-(5-Methylpyridin-2-Yl)- 3- (Propan-2-Yloxy)propanamide PDB code: 4ixc(A).
		11. Ligand: 2N8 × 1 (2r)-2-[3-Chloro-4-(Methylsulfonyl)phenyl]-3-[(1r)-3- Oxocyclopentyl]-N-(Pyrazin-2-Yl)propanamide PDB code: 4no7(A).
		12. Ligand: 3LZ × 1 1-{3-[(2-Ethylpyridin-3-Yl)oxy]-5-(Pyridin-2- Ylsulfanyl)pyridin-2-Yl}-3-Methylurea PDB code: 4rch(A).
		13. Ligand: 4DC × 1 (2r)-3-Cyclopentyl-2-[4-(Methylsulfonyl)phenyl]-N-(1,3- Thiazol-2-Yl)propanamide PDB code: 4dch(A).
		14. Ligand: 8WJ × 1 (2s)-3-Cyclohexyl-2-[4-(Cyclopentylsulfonyl)-2- Oxopyridin-1(2h)-Yl]-N-(1,3-Thiazol-2- Yl)propanamide PDB code: 5v4x(A).
		15. Ligand: 8WM × 1 (2s)-2-[4-(Cyclopropylsulfonyl)-1h-Indazol-1-Yl]-N-(5- Fluoro-1,3-Thiazol-2-Yl)-3-(Oxan-4- Yl)propanamide PDB code: 5v4w(A).
		16. Ligand: 926 × 1 6-{3-[(1-Methyl-1h-Imidazol-2-Yl) sulfanyl]phenyl}pyridin-2(1h)-One PDB code: 4l3q(A).
		17. Ligand: AJB × 1 2-Amino-N-(4-Methyl-1,3-Thiazol-2-Yl)-5-[(4-Methyl-4h- 1,2,4-Triazol-3-Yl)sulfanyl]benzamide PDB code: 3fr0(A).
		18. Ligand: AJI × 1 3-[(4-Fluorophenyl)sulfanyl]-N-(4-Methyl-1,3-Thiazol-2- Yl)-6-[(4-Methyl-4h-1,2,4-Triazol-3- Yl) sulfanyl]pyridine-2-Carboxamide PDB code: 3a0i(X).
		19. Ligand: B84 × 1 (2r)-3-Cyclopentyl-N-(5-Methoxy[1,3]thiazolo[5,4- B]pyridin-2-Yl)-2-{4-[(4-Methylpiperazin-1- Yl) sulfonyl]phenyl}propanamide PDB code: 3imx(A).
		20. Ligand: HKG × 1 1-{4-[5-({3-[(2-Methylpyridin-3-Yl)oxy]-5-[(Pyridin-2- Yl)sulfanyl]pyridin-2-Yl}amino)-1,2,4- Thiadiazol-3- Yl]piperidin-1 -Yl}ethan-1-One PDB code: 6e0i(A).
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Cluster 2 contains 7 ligand types

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Ligand		Description
		1. Ligand: GLC × 30 d-glucose Alpha-D-Glucopyranose PDB codes: 1v4s(A), 3a0i(X), 3f9m(A), 3fr0(A), 3goi(A), 3h1v(X), 3id8(A), 3idh(A), 3imx(A), 3qic(A), 3s41(A), 3vev(A), 3vey(A), 3vf6(A), 4dch(A), 4dhy(A), 4ise(A), 4isf(A), 4isg(A), 4iwv(A), 4ixc(A), 4l3q(A), 4mle(A), 4mlh(A), 4no7(A), 4rch(A), 5v4w(A), 5v4x(A), 6e0e(A), 6e0i(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6e0i(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qic(A).
		4. Ligand: ANP × 2 Phosphoaminophosphonic acid-Adenylate ester PDB codes: 3fgu(A), 3id8(A).
		5. Ligand: AGS × 1 Phosphothiophosphoric acid-Adenylate ester PDB code: 3vey(A).
		6. Ligand: BGC × 1 Beta-D-Glucopyranose PDB code: 3fgu(A).
		7. Ligand: SO4 × 1 Sulfate ion PDB code: 1v4t(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qic(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qic(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qic(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3qic(A).