Ligand clusters for UniProt code Q7K4Y6

Ligand clusters for Q7K4Y6: Sodium-dependent dopamine transporter from Drosophila melanogaster

		Top 6 (of 13) ligand clusters Cluster 1. 15 ligand types 21 ligands Cluster 2. 4 ligand types 19 ligands Cluster 3. 3 ligand types 18 ligands Cluster 4. 3 ligand types 4 ligands Cluster 5. 5 ligand types 7 ligands Cluster 6. 1 ligand type 19 ligands
Representative protein: 4xp9C

Structures

PDB		Schematic diagram
4xp9C
4xp5A
4xpaA
4xpbA
6m38A
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: 1WE × 1 dextroamphetamine (2s)-1-Phenylpropan-2-Amine PDB code: 4xp9(C).
		2. Ligand: 21B × 1 nortriptyline Nortriptyline PDB code: 4m48(A).
		3. Ligand: 29E × 1 duloxetine (3s)-N-Methyl-3-(Naphthalen-1-Yloxy)-3-(Thiophen-2-Yl) propan-1-Amine PDB code: 6m38(A).
		4. Ligand: 41X × 1 reboxetine (2r)-2-[(R)-(2-Ethoxyphenoxy)(phenyl)methyl]morpholine PDB code: 4xnx(A).
		5. Ligand: B40 × 1 metamfetamine (2s)-N-Methyl-1-Phenylpropan-2-Amine PDB code: 4xp6(A).
		6. Ligand: F0F × 1 milnacipran (1r,2s)-2-(Aminomethyl)-N,N-Diethyl-1-Phenyl- Cyclopropane-1-Carboxamide PDB code: 6m3z(A).
		7. Ligand: F1U × 1 tramadol (1s,2s)-2-[(Dimethylamino)methyl]-1-(3-Methoxyphenyl) cyclohexan-1-Ol PDB code: 6m47(A).
		8. Ligand: LDP × 1 dopamine L-Dopamine PDB code: 4xp1(A).
		9. Ligand: 42J × 3 2-(3,4-Dichlorophenyl)ethanamine PDB codes: 4xpa(A), 4xph(A), 4xpt(A).
_Na		10. Metal: _NA × 3 PDB codes: 4m48(A), 4xnu(A), 4xpg(A).
		11. Ligand: COC × 2 Cocaine PDB codes: 4xp4(A), 4xpb(A).
		12. Ligand: LNR × 2 L-Norepinephrine PDB codes: 6m0z(A), 6m2r(A).
		13. Ligand: 41U × 1 Nisoxetine PDB code: 4xnu(A).
		14. Ligand: 42F × 1 Methyl (1r,2s,3s,5s)-3-(4-Iodophenyl)-8-Methyl-8- Azabicyclo[3.2.1]octane-2-Carboxylate PDB code: 4xp5(A).
		15. Ligand: 42L × 1 Methyl (1r,2s,3s,5s)-3-(4-Fluorophenyl)-8-Methyl-8- Azabicyclo[3.2.1]octane-2-Carboxylate PDB code: 4xpg(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: NAG × 3 n-acetylglucosamine 2-Acetamido-2-Deoxy-Beta-D-Glucopyranose PDB codes: 4xp1(A), 4xp6(A), 4xp9(C).
		2. Ligand: GLC-GLC × 7 GLC=Alpha-D-Glucopyranose. PDB codes: 4xp1(A), 4xp4(A), 4xp5(A), 4xp6(A), 4xp9(C), 6m3z(A), 6m47(A).
		3. Ligand: BGC-GLC × 6 BGC=Beta-D-Glucopyranose, GLC=Alpha-D-Glucopyranose. PDB codes: 4xnx(A), 4xpa(A), 4xpb(A), 4xph(A), 4xpt(A),
		4. Ligand: DMU × 3 Decyl-Beta-D-Maltopyranoside PDB codes: 6m0z(A), 6m2r(A), 6m38(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: CLR × 7 cholesterol Cholesterol PDB codes: 4xnx(A), 4xp5(A), 4xpa(A), 4xpb(A), 4xpg(A), 4xph(A), 6m0f(A).
		2. Ligand: Y01 × 10 Cholesterol hemisuccinate PDB codes: 4xp1(A), 4xp4(A), 4xp6(A), 4xp9(C), 4xpt(A), 6m0z(A), 6m2r(A), 6m38(A), 6m3z(A), 6m47(A).
		3. Ligand: GLC-GLC × 1 GLC=Alpha-D-Glucopyranose. PDB code: 6m3z(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: GLC-GLC × 2 GLC=Alpha-D-Glucopyranose. PDB codes: 4xp1(A), 6m47(A).
		2. Ligand: BGC-GLC × 1 BGC=Beta-D-Glucopyranose, GLC=Alpha-D-Glucopyranose. PDB code: 4xpt(A).
		3. Ligand: MPO × 1 3[n-Morpholino]propane sulfonic acid PDB code: 4xp9(C).

Cluster 5 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6m3z(A).
		2. Ligand: P4G × 3 1-Ethoxy-2-(2-Ethoxyethoxy)ethane PDB codes: 4xp4(A), 4xp5(A), 6m0f(A).
		3. Ligand: BGC-GLC × 1 BGC=Beta-D-Glucopyranose, GLC=Alpha-D-Glucopyranose. PDB code: 4xpt(A).
		4. Ligand: D10 × 1 Decane PDB code: 6m2r(A).
		5. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4xp1(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: CLR × 19 cholesterol Cholesterol PDB codes: 4m48(A), 4xnu(A), 4xnx(A), 4xp1(A), 4xp4(A), 4xp5(A), 4xp6(A), 4xp9(C), 4xpa(A), 4xpb(A), 4xpg(A), 4xph(A), 4xpt(A), 6m0f(A), 6m0z(A), 6m2r(A), 6m38(A), 6m3z(A), 6m47(A).