Ligand clusters for UniProt code P42330

Ligand clusters for P42330: Aldo-keto reductase family 1 member C3 from Homo sapiens

		Top 6 (of 11) ligand clusters Cluster 1. 53 ligand types 129 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 17 ligands Cluster 4. 1 ligand type 4 ligands Cluster 5. 1 ligand type 6 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 1ry0A

Structures

PDB		Schematic diagram
1ry0A
4yvxA
6f2uA
4hmnA
4wduA
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Cluster 1 contains 53 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: NAP × 9 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 1ry0(A), 1s1p(A), 1s1r(A), 1s2a(A), 1s2c(A), 1xf0(A), 1zq5(A), 2f38(A), 2fgb(A).
		2. Ligand: ASD × 1 4-Androstene-3-17-Dione PDB code: 1xf0(A).
		3. Ligand: NDP × 1 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB code: 1ry8(A).
		4. Ligand: PG2 × 1 Prostaglandin d2 PDB code: 1ry0(A).
		5. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 1s2a(A), 1s2c(A), 3ugr(A).
		6. Ligand: IMN × 3 indomethacin Indomethacin PDB codes: 1s2a(A), 3ug8(A), 3ugr(A).
		7. Ligand: 15M × 1 bimatoprost (5z)-7-{(1r,2r,3r,5s)-3,5-Dihydroxy-2-[(1e,3s)-3- Hydroxy-5-Phenylpent-1-Enyl]cyclopentyl}-N- Ethylhept- 5-Enamide PDB code: 2f38(A).
		8. Ligand: FLF × 1 flufenamic acid 2-[[3-(Trifluoromethyl)phenyl]amino] benzoic acid PDB code: 1s2c(A).
		9. Ligand: GBM × 1 glyburide 5-Chloro-N-(2-{4-[(Cyclohexylcarbamoyl) sulfamoyl]phenyl}ethyl)-2-Methoxybenzamide PDB code: 4yvv(A).
		10. Ligand: GCZ × 1 gliclazide N-[(3ar,6as)-Hexahydrocyclopenta[c]pyrrol-2(1h)- Ylcarbamoyl]-4-Methylbenzenesulfonamide PDB code: 4zfc(A).
		11. Ligand: GMR × 1 glimepiride 3-Ethyl-4-Methyl-N-[2-(4-{[(Cis-4-Methylcyclohexyl) carbamoyl]sulfamoyl}phenyl)ethyl]-2-Oxo-2,5- Dihydro- 1h-Pyrrole-1-Carboxamide PDB code: 4yvx(A).
		12. Ligand: ID8 × 1 mefenamic acid 2-[(2,3-Dimethylphenyl)amino]benzoic acid PDB code: 3r43(A).
		13. Ligand: IZP × 1 ibuprofen (2r)-2-[4-(2-Methylpropyl)phenyl]propanoic acid PDB code: 3r8g(A).
		14. Ligand: JMS × 1 meclofenamic acid 2-[(2,6-Dichloro-3-Methyl-Phenyl)amino]benzoic acid PDB code: 3r6i(A).
		15. Ligand: NPS × 1 naproxen (2s)-2-(6-Methoxynaphthalen-2-Yl)propanoic acid PDB code: 3r58(A).
		16. Ligand: RUT × 1 rutin Rutin PDB code: 1ry8(A).
		17. Ligand: SUZ × 1 sulindac [(1z)-5-Fluoro-2-Methyl-1-{4- [Methylsulfinyl]benzylidene}-1h-Inden-3-Yl]acetic acid PDB code: 3r7m(A).
		18. Ligand: E04 × 1 3-Carboxamido-1,3,5(10)-Estratrien-17(r)-Spiro-2'(5', 5'-Dimethyl-6'Oxo)tetrahydropyran PDB code: 1zq5(A).
		19. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 1s1p(A), 1s1r(A).
		20. Ligand: ACT × 5 Acetate ion PDB codes: 1s1p(A), 1s1r(A), 1xf0(A), 1zq5(A), 2fgb(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: FLF × 1 flufenamic acid 2-[[3-(Trifluoromethyl)phenyl]amino] benzoic acid PDB code: 1s2c(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4fal(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 17 1,2-Ethanediol PDB codes: 3r43(A), 3r58(A), 3r6i(A), 3r7m(A), 3r8g(A), 3r8h(A), 3r94(A), 3ufy(A), 3ug8(A), 3uwe(A), 4dz5(A), 4fa3(A), 4fal(A), 4fam(A), 4hmn(A), 4wrh(A), 7c7f(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 3r43(A), 3r6i(A), 3ugr(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 3r58(A), 3ufy(A), 3ugr(A), 3uwe(A), 4dz5(A), 7c7f(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3r58(A).