Ligand clusters for UniProt code Q9NYA1

Ligand clusters for Q9NYA1: Sphingosine kinase 1 from Homo sapiens

		Top 6 (of 13) ligand clusters Cluster 1. 4 ligand types 7 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 3vzbA

Structures

PDB		Schematic diagram
3vzbA
4l02A
3vzbB
4l02B
4v24A
		more ...

Cluster 1 contains 4 ligand types

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Ligand		Description
		1. Ligand: 1V2 × 2 (2r,4s)-1-[2-(4-{[4-(3,4-Dichlorophenyl)-1,3-Thiazol-2- Yl]amino}phenyl)ethyl]-2- (Hydroxymethyl)piperidin-4-Ol PDB codes: 4l02(A),
		2. Ligand: SQS × 2 (2s,3r,4e)-2-Aminooctadec-4-Ene-1,3-Diol PDB codes: 3vzb(A),
		3. Ligand: UUL × 2 4-{[4-(4-Chlorophenyl)-1,3-Thiazol-2-Yl]amino}phenol PDB codes: 3vzc(A), 3vzd(A).
		4. Ligand: GYR × 1 {(2r)-1-[4-({3-Methyl-5-[(Phenylsulfonyl) methyl]phenoxy}methyl)benzyl]pyrrolidin-2-Yl}methanol PDB code: 4v24(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: UUL × 1 4-{[4-(4-Chlorophenyl)-1,3-Thiazol-2-Yl]amino}phenol PDB code: 3vzd(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 1 Acetate ion PDB code: 4v24(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3vzb(B).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 3vzb(A),

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3vzb(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3vzb(A).