Ligand clusters for UniProt code Q92835

Ligand clusters for Q92835: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 from Homo sapiens

		Top 6 (of 17) ligand clusters Cluster 1. 47 ligand types 48 ligands Cluster 2. 39 ligand types 39 ligands Cluster 3. 7 ligand types 7 ligands Cluster 4. 6 ligand types 6 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 5rybA

Structures

PDB		Schematic diagram
5rybA
5rxgA
5rxhA
5rwvA
5rxfA
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Cluster 1 contains 47 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5rx2(A), 5rxm(A).
		2. Ligand: 2L1 × 1 2-[(4-Methyl-1h-Imidazol-5-Yl)methyl]-1,2,3,4- Tetrahydroisoquinoline PDB code: 5rwc(A).
		3. Ligand: AXG × 1 1-(Phenylmethyl)-4-Pyrrol-1-Yl-Piperidine PDB code: 5rwo(A).
		4. Ligand: ELQ × 1 [3,4-Bis(fluoranyl)phenyl]-(4-Methylpiperazin-1-Yl) methanone PDB code: 5rxa(A).
		5. Ligand: GWV × 1 ~{N},~{N}-Dimethyl-4-[(Propan-2-Ylamino)methyl]aniline PDB code: 5rxm(A).
		6. Ligand: H0D × 1 N-(4-Chlorophenyl)-N'-[(2r)-1-Hydroxybutan-2-Yl]urea PDB code: 5rx4(A).
		7. Ligand: JJG × 1 4-[2-(Phenylsulfanyl)ethyl]morpholine PDB code: 5rwe(A).
		8. Ligand: JMM × 1 [4-(Cyclopropanecarbonyl)piperazin-1-Yl](furan-2-Yl) methanone PDB code: 5rwt(A).
		9. Ligand: K0G × 1 N-Phenyl-N'-Pyridin-3-Ylurea PDB code: 5rwq(A).
		10. Ligand: NUJ × 1 Trans-3-[(2,6-Dimethylpyrimidin-4-Yl)(methyl) amino]cyclobutan-1-Ol PDB code: 5rwd(A).
		11. Ligand: NV7 × 1 1-[(Furan-2-Yl)methyl]-4-(Methylsulfonyl)piperazine PDB code: 5rww(A).
		12. Ligand: NVY × 1 1-Ethyl-N-(2-Fluorophenyl)piperidin-4-Amine PDB code: 5rxc(A).
		13. Ligand: NZ4 × 1 N-(3-Acetylphenyl)morpholine-4-Carboxamide PDB code: 5ryi(A).
		14. Ligand: O1M × 1 4-(4-Fluorophenyl)piperazine-1-Carboxamide PDB code: 5ry6(A).
		15. Ligand: O3A × 1 (3s)-N-Methyl-N-Phenylpyrrolidine-3-Carboxamide PDB code: 5rxi(A).
		16. Ligand: O3D × 1 4-[(Furan-2-Yl)methyl]-1lambda~6~,4-Thiazinane-1,1- Dione PDB code: 5rwi(A).
		17. Ligand: O3J × 1 1-[4-(3-Phenylpropyl)piperazin-1-Yl]ethan-1-One PDB code: 5rx8(A).
		18. Ligand: O3M × 1 4-[(3,4-Dihydroisoquinolin-2(1h)-Yl)methyl]phenol PDB code: 5rwa(A).
		19. Ligand: RWV × 1 1-{1-[(2-Methyl-1,3-Thiazol-4-Yl)methyl]piperidin-4- Yl}methanamine PDB code: 5rwy(A).
		20. Ligand: RX7 × 1 2-Methyl-2-{[(3-Methylthiophen-2-Yl) methyl]amino}propan-1-Ol PDB code: 5rxb(A).
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Cluster 2 contains 39 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: AWD × 1 ~{N}-(4-Fluorophenyl)-4-Methyl-Piperazine-1-Carboxamide PDB code: 5rxp(A).
		2. Ligand: AXS × 1 1-(4-Fluorophenyl)-~{N}-[[(2~{r})-Oxolan-2- Yl]methyl]methanamine PDB code: 5rwj(A).
		3. Ligand: B1J × 1 [1-(4-Chlorophenyl)-1,2,3-Triazol-4-Yl]methanol PDB code: 5ry8(A).
		4. Ligand: ELQ × 1 [3,4-Bis(fluoranyl)phenyl]-(4-Methylpiperazin-1-Yl) methanone PDB code: 5rxa(A).
		5. Ligand: GX4 × 1 Cyclopropyl-[4-(4-Fluorophenyl)piperazin-1-Yl]methanone PDB code: 5rx6(A).
		6. Ligand: H0D × 1 N-(4-Chlorophenyl)-N'-[(2r)-1-Hydroxybutan-2-Yl]urea PDB code: 5rx4(A).
		7. Ligand: JO1 × 1 1-Methyl-N-[(Thiophen-2-Yl)methyl]-1h-Pyrazole-5- Carboxamide PDB code: 5rwp(A).
		8. Ligand: JOV × 1 3-Chloro-N-(1-Hydroxy-2-Methylpropan-2-Yl)benzamide PDB code: 5rxo(A).
		9. Ligand: NVY × 1 1-Ethyl-N-(2-Fluorophenyl)piperidin-4-Amine PDB code: 5rxc(A).
		10. Ligand: O0P × 1 N-[(3-Fluorophenyl)methyl]-N-Methylsulfuric diamide PDB code: 5ry4(A).
		11. Ligand: O1M × 1 4-(4-Fluorophenyl)piperazine-1-Carboxamide PDB code: 5ry6(A).
		12. Ligand: O3G × 1 N-Benzyl-1-(4-Fluorophenyl)methanamine PDB code: 5rwr(A).
		13. Ligand: O3J × 1 1-[4-(3-Phenylpropyl)piperazin-1-Yl]ethan-1-One PDB code: 5rx8(A).
		14. Ligand: QKZ × 1 2-(4-Chlorophenyl)-~{N}-Pyrimidin-2-Yl-Ethanamide PDB code: 5rw9(A).
		15. Ligand: RXS × 1 3-[(2-Methyl-1h-Imidazol-1-Yl)methyl]benzonitrile PDB code: 5rxt(A).
		16. Ligand: S07 × 1 2-(2,4-Dimethylphenoxy)-1-Morpholin-4-Yl-Ethanone PDB code: 5rwg(A).
		17. Ligand: S7J × 1 2-(Trifluoromethyl)pyrimidine-5-Carboxamide PDB code: 5ryl(A).
		18. Ligand: T0J × 1 N~1~-Phenylpiperidine-1,4-Dicarboxamide PDB code: 5rye(A).
		19. Ligand: T0V × 1 1-(3-Fluorophenyl)-N-[(Furan-2-Yl)methyl]methanamine PDB code: 5rw2(A).
		20. Ligand: T1S × 1 4-[(3-Chlorophenyl)methyl]morpholine PDB code: 5rxw(A).
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Cluster 3 contains 7 ligand types

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Ligand		Description
		1. Ligand: NVD × 1 N-{[4-(Dimethylamino)phenyl]methyl}-4h-1,2,4-Triazol-4- Amine PDB code: 5rx0(A).
		2. Ligand: U0V × 1 2-Fluoro-N-[2-(Pyridin-4-Yl)ethyl]benzamide PDB code: 5rwn(A).
		3. Ligand: WL7 × 1 4-Amino-N-(2-Hydroxyethyl)-N-Methylbenzene-1- Sulfonamide PDB code: 5rxl(A).
		4. Ligand: WMV × 1 N-(2-Cyclohexylethyl)-3,5-Dimethyl-1,2-Oxazole-4- Carboxamide PDB code: 5rw5(A).
		5. Ligand: WNA × 1 1-Methyl-N-[(2-Methylphenyl)methyl]-1h-Tetrazol-5-Amine PDB code: 5rwu(A).
		6. Ligand: WO7 × 1 1-(1,4-Diazepan-1-Yl)ethan-1-One PDB code: 5ryg(A).
		7. Ligand: WOD × 1 3-Cyclopropyl-5-[(3r)-Pyrrolidin-3-Yl]-1,2,4-Oxadiazole PDB code: 5ryj(A).

Cluster 4 contains 6 ligand types

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Ligand		Description
		1. Ligand: NTG × 1 5-(1,4-Oxazepan-4-Yl)pyridine-2-Carbonitrile PDB code: 5rwl(A).
		2. Ligand: NUJ × 1 Trans-3-[(2,6-Dimethylpyrimidin-4-Yl)(methyl) amino]cyclobutan-1-Ol PDB code: 5rwd(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 5ry9(A).
		4. Ligand: WKS × 1 2,4-Dimethyl-6-(Piperazin-1-Yl)pyrimidine PDB code: 5ry9(A).
		5. Ligand: WL1 × 1 Methyl 4-Sulfanylbenzoate PDB code: 5ryc(A).
		6. Ligand: WLP × 1 2-Chlorobenzene-1-Thiol PDB code: 5rxv(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: K0V × 1 Methyl 1-(Tert-Butylcarbamoyl)piperidine-4-Carboxylate PDB code: 5rwx(A).
		2. Ligand: S8G × 1 1-[(3~{r})-3-Azanylpiperidin-1-Yl]-4,4,4- Tris(fluoranyl)butan-1-One PDB code: 5rxs(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: WKM × 1 (2s)-2-Amino-3-Methyl-1-(Morpholin-4-Yl)butan-1-One PDB code: 5ryb(A).
		2. Ligand: WKP × 1 (4-Methoxyphenyl)(piperidin-4-Yl)methanone PDB code: 5rya(A).