Ligand clusters for UniProt code Q13093

Ligand clusters for Q13093: Platelet-activating factor acetylhydrolase from Homo sapiens

		Top 6 (of 22) ligand clusters Cluster 1. 32 ligand types 39 ligands Cluster 2. 2 ligand types 4 ligands Cluster 3. 2 ligand types 13 ligands Cluster 4. 1 ligand type 3 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 3f98A

Structures

PDB		Schematic diagram
3f98A
5jadA
5lz5A
5lz7A
5lz9A
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Cluster 1 contains 32 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 8 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 5jad(A), 5jal(A), 5jao(A), 5jap(A), 5jar(A), 5jas(A), 5jat(A), 5jau(A).
		2. Ligand: 5HV × 1 N-[2-(Diethylamino)ethyl]-2-{2-[(4-Fluorobenzyl) sulfanyl]-4-Oxo-4,5,6,7-Tetrahydro-1h- Cyclopenta[d]pyrimidin-1-Yl}-N-{[4'-(Trifluoromethyl) biphenyl-4-Yl]methyl}acetamide PDB code: 5i9i(A).
		3. Ligand: 6HO × 1 (2,5-Dihydro-1h-Pyrrol-1-Yl)(3-Fluorophenyl)methanone PDB code: 5jal(A).
		4. Ligand: 6HP × 1 1,3-Dimethyl-6-(2-Methylpropoxy)pyrimidine-2,4(1h,3h)- Dione PDB code: 5jan(A).
		5. Ligand: 6HQ × 1 1,5,5-Trimethylimidazolidine-2,4-Dione PDB code: 5jah(A).
		6. Ligand: 6HR × 1 3-{2-[(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)amino]-1,3- Thiazol-4-Yl}propan-1-Ol PDB code: 5jat(A).
		7. Ligand: 6HU × 1 (2s)-3-(3-{[4-(2-Aminoethoxy)-2',6-Dimethyl[1,1'- Biphenyl]-3-Yl]amino}-1h-Pyrazol-1-Yl)-2- Methoxypropan-1-Ol PDB code: 5jau(A).
		8. Ligand: 6HV × 1 (2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)(1,3-Thiazol-2-Yl) methanone PDB code: 5jar(A).
		9. Ligand: 6HW × 1 N-(2',6-Dimethyl[1,1'-Biphenyl]-3-Yl)-1,3-Thiazol-2- Amine PDB code: 5jas(A).
		10. Ligand: 6HX × 1 2'-Chloro-6-Methyl[1,1'-Biphenyl]-3-Amine PDB code: 5jao(A).
		11. Ligand: 6HZ × 1 (2,5-Dihydro-1h-Pyrrol-1-Yl)(2',6-Dimethyl[1,1'- Biphenyl]-3-Yl)methanone PDB code: 5jap(A).
		12. Ligand: 71H × 1 ~{N}-[2-(Diethylamino)ethyl]-2-[2-[(4-Fluorophenyl) methylsulfanyl]-4-Oxidanylidene-5~{h}- Cyclopenta[d]pyrimidin-1-Yl]-~{N}-[[3-[4- (Trifluoromethyl)phenyl]-1- Bicyclo[1.1.1]pentanyl]methyl]ethanamide PDB code: 5lp1(A).
		13. Ligand: 7BJ × 1 3-[2-(4-Fluoranylphenoxy)ethyl]-1,3- Diazaspiro[4.5]decane-2,4-Dione PDB code: 5lyy(A).
		14. Ligand: 7BK × 1 2-Fluoranyl-5-[2-[(4~{r})-4-Methyl-2-Oxidanylidene-4- Phenyl-Pyrrolidin-1- Yl]ethoxy]benzenecarbonitrile PDB code: 5lz7(A).
		15. Ligand: 7BP × 1 5-[2-[(4~{s})-4-~{Tert}-Butyl-2-Oxidanylidene- Pyrrolidin-1-Yl]ethoxy]-2-Fluoranyl- Benzenecarbonitrile PDB code: 5lz8(A).
		16. Ligand: 7BR × 1 2-Fluoranyl-5-[2-[(4~{s})-4-[4-Methyl-1,1- Bis(oxidanylidene)thian-4-Yl]-2-Oxidanylidene- Pyrrolidin-1-Yl]ethoxy]benzenecarbonitrile PDB code: 5lz9(A).
		17. Ligand: 7BW × 1 5-[2-(4,4-Dimethyl-2-Oxidanylidene-Pyrrolidin-1-Yl) ethoxy]-2-Fluoranyl-Benzenecarbonitrile PDB code: 5lz4(A).
		18. Ligand: 7BX × 1 3-Cyano-~{N}-Cyclopropyl-Benzenesulfonamide PDB code: 5lz2(A).
		19. Ligand: 7K4 × 1 2-Fluoranyl-5-[2-[(4~{s})-4-Methyl-2-Oxidanylidene-4- Phenyl-Pyrrolidin-1- Yl]ethoxy]benzenecarbonitrile PDB code: 5lz5(A).
		20. Ligand: 8U0 × 1 N-[4-[(4-Naphthalen-2-Yloxyphenyl) sulfamoyl]phenyl]ethanamide PDB code: 5ye7(B).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: ACT × 2 Acetate ion PDB codes: 3d59(A),
		2. Ligand: SO4 × 2 Sulfate ion PDB codes: 5ye7(B), 5yea(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
_Cl		1. Metal: _CL × 12 PDB codes: 5jah(A), 5jal(A), 5jao(A), 5jap(A), 5jar(A), 5jas(A), 5jat(A), 5jau(A), 5lp1(A), 5lz4(A), 5lz5(A), 5lz8(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5ye9(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 3d59(A), 5ye7(B), 5yea(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 5ye9(A), 5yea(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 5ye9(A).