Ligand clusters for UniProt code O75469

Ligand clusters for O75469: Nuclear receptor subfamily 1 group I member 2 from Homo sapiens

		Top 6 (of 11) ligand clusters Cluster 1. 34 ligand types 52 ligands Cluster 2. 6 ligand types 18 ligands Cluster 3. 3 ligand types 4 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 2 ligand types 6 ligands Cluster 6. 2 ligand types 4 ligands
Representative protein: 6htyA

Structures

PDB		Schematic diagram
6htyA
7axdA
6s41A
4x1fA
4j5xA
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Cluster 1 contains 34 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: EST × 4 estradiol Estradiol PDB codes: 7axi(A), 7axj(A), 7axk(A), 7axl(A).
		2. Ligand: IPA × 4 isopropyl alcohol Isopropyl alcohol PDB codes: 7axd(A), 7axf(A), 7axh(A).
		3. Ligand: 3WF × 2 ethinylestradiol Ethinyl estradiol PDB codes: 4x1f(A), 4x1g(A).
		4. Ligand: CL6 × 2 clotrimazole 1-[(2-Chlorophenyl)(diphenyl)methyl]-1h-Imidazole PDB codes: 7axa(A), 7axj(A).
		5. Ligand: GOL × 2 glycerin Glycerol PDB codes: 7ax9(A), 7axb(A).
		6. Ligand: 27J × 1 zeranol Alpha-Zearalanol PDB code: 7axh(A).
		7. Ligand: P06 × 1 dabrafenib Dabrafenib PDB code: 6hj2(A).
		8. Ligand: SRL × 4 [2-(3,5-Di-Tert-Butyl-4-Hydroxy-Phenyl)-1-(Diethoxy- Phosphoryl)-Vinyl]- Phosphonic acid diethlyl ester PDB codes: 1ilh(A), 1nrl(A), 3hvl(A), 4j5x(A).
		9. Ligand: 40U × 2 N-{(2r)-1-[(4s)-4-(4-Chlorophenyl)-4-Hydroxy-3,3- Dimethylpiperidin-1-Yl]-3-Methyl-1-Oxobutan-2- Yl}-2- Cyclopropylacetamide PDB codes: 4s0t(A), 4xhd(A).
		10. Ligand: 4WH × 2 4-[(4-Tert-Butylphenyl)sulfonyl]-1-(2,4-Dimethoxy-5- Methylphenyl)-5-Methyl-1h-1,2,3-Triazole PDB codes: 5x0r(A),
		11. Ligand: S68 × 2 Endosulfan PDB codes: 7axb(A), 7axk(A).
		12. Ligand: S6H × 2 (+)Cis-Chlordane PDB codes: 7ax9(A), 7axi(A).
		13. Ligand: S6T × 2 Pretilachlor PDB codes: 7axf(A),
		14. Ligand: TBY × 2 Tributylstannanyl PDB codes: 7axg(A),
		15. Ligand: 27H × 1 Ferutinine PDB code: 7axc(A).
		16. Ligand: 2Q4 × 1 N-{(2r)-1-[(4s)-4-(4-Chlorophenyl)-4-Hydroxy-3,3- Dimethylpiperidin-1-Yl]-3-Methyl-1-Oxobutan-2- Yl}-3- Hydroxy-3-Methylbutanamide PDB code: 4ny9(A).
		17. Ligand: 3WG × 1 Trans-Nonachlor PDB code: 4x1g(A).
		18. Ligand: 444 × 1 N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-Trifluoro-1- Hydroxy-1- (Trifluoromethyl) ethyl]phenyl}benzenesulfonamide PDB code: 2o9i(A).
		19. Ligand: CDZ × 1 3,5-Dihydroxy-4,6,6-Tris(3-Methylbut-2-En-1-Yl)-2-(2- Methylpropanoyl)cyclohexa-2,4-Dien-1-One PDB code: 2qnv(A).
		20. Ligand: D7E × 1 4-Chloro-N-[(1r)-1-[1-Ethyl-6-(Trifluoromethyl) benzimidazol-2-Yl]ethyl]benzenesulfonamide PDB code: 5a86(A).
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Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: IPA × 5 isopropyl alcohol Isopropyl alcohol PDB codes: 7ax9(A), 7axc(A), 7axd(A), 7axe(A), 7axf(A).
		2. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6hty(A), 6p2b(A).
		3. Ligand: GOL × 1 glycerin Glycerol PDB code: 7axe(A).
		4. Ligand: MPD × 8 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 4x1f(A), 4x1g(A), 4xao(A), 7axb(A), 7axh(A), 7axi(A), 7axk(A), 7axl(A).
		5. Ligand: EDO × 1 1,2-Ethanediol PDB code: 7ax8(A).
		6. Ligand: PO4 × 1 Phosphate ion PDB code: 6tfi(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: IPA × 2 isopropyl alcohol Isopropyl alcohol PDB codes: 7ax9(A), 7axc(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 7axb(A).
		3. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4x1f(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6hty(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6tfi(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: IPA × 5 isopropyl alcohol Isopropyl alcohol PDB codes: 4x1g(A), 7ax9(A), 7axc(A), 7axf(A), 7axh(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6hty(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6hty(A), 6p2b(A), 6tfi(A).
		2. Ligand: IPA × 1 isopropyl alcohol Isopropyl alcohol PDB code: 7axd(A).