Ligand clusters for UniProt code P50172

Ligand clusters for P50172: Corticosteroid 11-beta-dehydrogenase isozyme 1 from Mus musculus

		6 ligand clusters Cluster 1. 10 ligand types 15 ligands Cluster 2. 4 ligand types 4 ligands Cluster 3. 1 ligand type 5 ligands Cluster 4. 1 ligand type 3 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 2 ligands
Representative protein: 1y5mA

Structures

PDB		Schematic diagram
1y5mA
1y5rA
5pgzA
4k26A
4nmhA
		more ...

Cluster 1 contains 10 ligand types

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Ligand		Description
		1. Ligand: NDP × 2 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 1y5m(A), 1y5r(A).
		2. Ligand: C0R × 1 Corticosterone PDB code: 1y5r(A).
		3. Ligand: OCT × 1 N-Octane PDB code: 1y5m(A).
		4. Ligand: NDP × 3 Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 3gmd(A), 4k26(A), 4nmh(A).
		5. Ligand: HJG × 2 2-{3-[1-(4-Chlorophenyl)cyclopropyl][1,2,4]triazolo[4, 3-A]pyridin-8-Yl}propan-2-Ol PDB codes: 5qij(A),
		6. Ligand: NAP × 2 Nadp nicotinamide-Adenine-Dinucleotide phosphate PDB codes: 5pgz(A), 5qij(A).
		7. Ligand: 2KG × 1 (4s)-4-(2-Methoxyphenyl)-3,3-Dimethyl-1-[3- (Methylsulfonyl)phenyl]azetidin-2-One PDB code: 4nmh(A).
		8. Ligand: 2M3 × 1 2-Methyl-3-{(3s)-1-[(1-Pyridin-2-Ylcyclopropyl) carbonyl]pyrrolidin-3-Yl}-1h-Pyrrolo[2,3-B]pyridine PDB code: 3gmd(A).
		9. Ligand: 8KG × 1 2-[(5r,7s)-6-Hydroxy-2-Phenyladamantan-2-Yl]-1-(3- Hydroxyazetidin-1-Yl)ethan-1-One PDB code: 5pgz(A).
		10. Ligand: SFF × 1 (4as,8ar)-N-Cyclohexyl-4a,5,6,7,8,8a-Hexahydro-4,1,2- Benzoxathiazin-3-Amine 1,1-Dioxide PDB code: 4k26(A).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: OCT × 1 N-Octane PDB code: 1y5m(A).
		2. Ligand: 2KG × 1 (4s)-4-(2-Methoxyphenyl)-3,3-Dimethyl-1-[3- (Methylsulfonyl)phenyl]azetidin-2-One PDB code: 4nmh(A).
		3. Ligand: 2M3 × 1 2-Methyl-3-{(3s)-1-[(1-Pyridin-2-Ylcyclopropyl) carbonyl]pyrrolidin-3-Yl}-1h-Pyrrolo[2,3-B]pyridine PDB code: 3gmd(A).
		4. Ligand: HJG × 1 2-{3-[1-(4-Chlorophenyl)cyclopropyl][1,2,4]triazolo[4, 3-A]pyridin-8-Yl}propan-2-Ol PDB code: 5qij(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 5 Sulfate ion PDB codes: 1y5m(A), 4k26(A), 4nmh(A), 5pgz(A), 5qij(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 3 Sulfate ion PDB codes: 1y5m(A), 4k26(A), 5qij(A).

Cluster 5 contains 1 ligand type

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

Cluster 6 contains 1 ligand type

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