Ligand clusters for UniProt code Q9BPX1

Ligand clusters for Q9BPX1: 17-beta-hydroxysteroid dehydrogenase 14 from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 22 ligand types 53 ligands Cluster 2. 2 ligand types 13 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 2 ligand types 4 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 3 ligands
Representative protein: 5js6A

Structures

PDB		Schematic diagram
5js6A
6gtuA
6emmA
5jsfA
6zdiA
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Cluster 1 contains 22 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6g4l(A), 6gtb(A), 6h0m(A).
		2. Ligand: J3Z × 1 estrone (9beta,13alpha)-3-Hydroxyestra-1,3,5(10)-Trien-17-One PDB code: 5hs6(A).
		3. Ligand: SAL × 1 salicylic acid 2-Hydroxybenzoic acid PDB code: 6emm(A).
		4. Ligand: NAD × 26 Nicotinamide-Adenine-Dinucleotide PDB codes: 5en4(A), 5hs6(A), 5icm(A), 5js6(A), 5jsf(A), 5l7t(A), 5l7w(A), 5l7y(A), 5o42(A), 5o43(A), 5o6o(A), 5o6x(A), 5o6z(A), 5o72(A), 5o7c(A), 6emm(A), 6ffb(A), 6g4l(A), 6gbt(A), 6gtb(A), 6gtu(A), 6h0m(A), 6hno(A), 6qck(A), 6zde(A), 6zdi(A).
		5. Ligand: F45 × 4 [6-(3,4-Dihydroxyphenyl)pyridin-2-Yl](4-Fluoro-3- Hydroxyphenyl)methanone PDB codes: 5icm(A), 6ffb(A), 6g4l(A), 6gbt(A).
_Cl		6. Metal: _CL × 2 PDB codes: 5jsf(A), 6gtu(A).
		7. Ligand: 45N × 1 N-(1,3-Benzodioxol-5-Ylmethyl)cyclopentanamine PDB code: 6gtu(A).
		8. Ligand: 5Q6 × 1 [2,3-Bis(oxidanyl)phenyl]-[6-(2-Fluoranyl-3-Oxidanyl- Phenyl)pyridin-2-Yl]methanone PDB code: 5en4(A).
		9. Ligand: 6QJ × 1 (4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(3-Methyl-4- Oxidanyl-Phenyl)pyridin-2-Yl]methanone PDB code: 5l7t(A).
		10. Ligand: 6QO × 1 (4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(2-Fluoranyl-3- Oxidanyl-Phenyl)pyridin-2-Yl]methanone PDB code: 5l7y(A).
		11. Ligand: 6QU × 1 [4-Fluoranyl-2,3-Bis(oxidanyl)phenyl]-[6-(2-Fluoranyl- 3-Oxidanyl-Phenyl)pyridin-2-Yl]methanone PDB code: 5l7w(A).
		12. Ligand: 9JQ × 1 2-Fluoranyl-3-[6-[(4-Fluoranyl-3-Oxidanyl-Phenyl)- Methyl-Amino]pyridin-2-Yl]phenol PDB code: 5o43(A).
		13. Ligand: 9JW × 1 2-Fluoranyl-3-[6-[1-(4-Fluoranyl-3-Oxidanyl-Phenyl) ethenyl]pyridin-2-Yl]phenol PDB code: 5o42(A).
		14. Ligand: 9MB × 1 2-Fluoranyl-3-[6-(4-Fluoranyl-3-Oxidanyl-Phenoxy) pyridin-2-Yl]phenol PDB code: 5o6o(A).
		15. Ligand: 9ME × 1 (4-Fluoranyl-3-Oxidanyl-Phenyl)-Quinolin-2-Yl-Methanone PDB code: 5o6z(A).
		16. Ligand: 9MH × 1 2-Azanyl-~{N}-[2-(4-Fluoranyl-3-Oxidanyl-Phenyl) carbonylquinolin-7-Yl]ethanamide PDB code: 5o72(A).
		17. Ligand: 9MK × 1 (4-Fluoranyl-3-Oxidanyl-Phenyl)-(6-Methylquinolin-2- Yl)methanone PDB code: 5o6x(A).
		18. Ligand: 9N2 × 1 2-(4-Fluoranyl-3-Oxidanyl-Phenyl)carbonylquinoline-7- Carbonitrile PDB code: 5o7c(A).
		19. Ligand: FBK × 1 3-[6-(3-Hydroxyphenyl)pyridin-2-Yl]benzoic acid PDB code: 6gtb(A).
		20. Ligand: HWK × 1 2-[2-(1,3-Benzodioxol-2-Yl)ethyl]benzoic acid PDB code: 6qck(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GLC × 1 d-glucose Alpha-D-Glucopyranose PDB code: 5icm(A).
		2. Ligand: BGC × 12 Beta-D-Glucopyranose PDB codes: 5l7w(A), 5o42(A), 5o43(A), 5o6o(A), 5o6x(A), 5o6z(A), 5o7c(A), 6ffb(A), 6g4l(A), 6gtb(A), 6h0m(A), 6qck(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: 6QO × 1 (4-Fluoranyl-3-Oxidanyl-Phenyl)-[6-(2-Fluoranyl-3- Oxidanyl-Phenyl)pyridin-2-Yl]methanone PDB code: 5l7y(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: PGE × 3 Triethylene glycol PDB codes: 5js6(A), 5jsf(A), 6gtu(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6emm(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 6emm(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6g4l(A), 6gbt(A), 6qck(A).