Ligand clusters for UniProt code Q8NEB9

Ligand clusters for Q8NEB9: Phosphatidylinositol 3-kinase catalytic subunit type 3 from Homo sapiens

		Top 6 (of 16) ligand clusters Cluster 1. 11 ligand types 12 ligands Cluster 2. 2 ligand types 2 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: 6i3uA

Structures

PDB		Schematic diagram
6i3uA
3ls8A
4oysA
5anlA
4uwlA
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
		1. Ligand: RBQ × 2 (8s)-2-(Morpholin-4-Yl)-9-[2-(Propan-2-Yloxy) ethyl]-8-(Trifluoromethyl)-6,7,8,9- Tetrahydro-4h- Pyrimido[1,2-A]pyrimidin-4-One PDB codes: 4uwg(A), 5anl(A).
		2. Ligand: 1TT × 1 (8s)-9-[(5-Chloranylpyridin-3-Yl)methyl]-2-[(3r)-3- Methylmorpholin-4-Yl]-8-(Trifluoromethyl)- 6,7,8,9a- Tetrahydro-3h-Pyrimido[1,2-A]pyrimidin-4-One PDB code: 4oys(A).
		3. Ligand: 2UG × 1 4'-(Cyclopropylmethyl)-N~2~-(Pyridin-4-Yl)-4,5'- Bipyrimidine-2,2'-Diamine PDB code: 4ph4(B).
		4. Ligand: 5QS × 1 1-[[4-(Cyclopropylmethyl)-5-[2-(Pyridin-4-Ylamino) pyrimidin-4-Yl]pyrimidin-2-Yl]amino]-2-Methyl- Propan- 2-Ol PDB code: 5enn(A).
		5. Ligand: 7A5 × 1 (8s)-2-[(3r)-3-Methylmorpholin-4-Yl]-9-(3- Methyl-2-Oxobutyl)-8-(Trifluoromethyl)-6,7,8,9- Tetrahydro-4h-Pyrimido[1,2-A]pyrimidin-4-One PDB code: 4uwl(A).
		6. Ligand: AJZ × 1 3-(4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)phenol PDB code: 3ls8(A).
		7. Ligand: EUT × 1 (8s)-9-[3,5-Bis(fluoranyl)phenyl]-2-Morpholin-4-Yl-8- (Trifluoromethyl)-7,8-Dihydro-6h- Pyrimido[1,2- A]pyrimidin-4-One PDB code: 4uwf(A).
		8. Ligand: H2E × 1 2-Morpholin-4-Yl-6-[7-[(2~{r})-1-Morpholin-4-Ylpropan- 2-Yl]oxy-9~{h}-Thioxanthen-4-Yl]pyran-4-One PDB code: 6i3u(A).
		9. Ligand: JXM × 1 (8s)-9-[(2r)-2-Hydroxy-2-Phenylethyl]-2- (Morpholin-4-Yl)-8-(Trifluoromethyl)-6,7,8,9- Tetrahydro- 4h-Pyrimido[1,2-A]pyrimidin-4-One PDB code: 4uwh(A).
		10. Ligand: SO4 × 1 Sulfate ion PDB code: 4uwl(A).
		11. Ligand: UJB × 1 (2s)-1-[(5-Chloro-2-Thienyl)methyl]-8-[(3r, 5r)-3,5-Dimethylmorpholin-4-Yl]-2- (Trifluoromethyl)- 3,4-Dihydro-2h-Pyrimido[1,2-A]pyrimi 6-One PDB code: 4uwk(A).

Cluster 2 contains 2 ligand types

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

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PGE × 1 Triethylene glycol PDB code: 6hoh(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 3ls8(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4ph4(B).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4uwk(A).