Ligand clusters for UniProt code Q13451

Ligand clusters for Q13451: Peptidyl-prolyl cis-trans isomerase FKBP5 from Homo sapiens

		Top 6 (of 12) ligand clusters Cluster 1. 39 ligand types 43 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 4 ligand types 6 ligands Cluster 4. 3 ligand types 4 ligands Cluster 5. 2 ligand types 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 5njxA

Structures

PDB		Schematic diagram
5njxA
5ompA
1kt0A
3o5qA
3o5fA
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Cluster 1 contains 39 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: RAP × 2 sirolimus Rapamycin immunosuppressant drug PDB codes: 4drh(A), 4dri(A).
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 3o5q(A).
		3. Ligand: FK5 × 1 tacrolimus 8-Deethyl-8-[But-3-Enyl]-Ascomycin PDB code: 3o5r(A).
		4. Ligand: NCA × 1 nicotinamide Nicotinamide PDB code: 6tx6(A).
		5. Ligand: 0MC × 2 {3-[(1r)-3-(3,4-Dimethoxyphenyl)-1-({[(2s)-1-{[(1s,2r)- 2-Ethyl-1- Hydroxycyclohexyl](oxo)acetyl}piperidin-2- Yl]carbonyl}oxy)propyl]phenoxy}acetic acid PDB codes: 4drm(A), 4drn(A).
		6. Ligand: 0MD × 2 {3-[(1r)-3-(3,4-Dimethoxyphenyl)-1-({[(2s)-1-{[(1r,2s)- 2-Ethyl-1- Hydroxycyclohexyl](oxo)acetyl}piperidin-2- Yl]carbonyl}oxy)propyl]phenoxy}acetic acid PDB codes: 4dro(A), 4drp(A).
		7. Ligand: 37K × 2 (1r)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(Morpholin-4-Yl) ethoxy]phenyl}propyl (2s)-1-[(2s)-2-[(1s)- Cyclohex-2- En-1-Yl]-2-(3,4,5-Trimethoxyphenyl)acetyl]piperidine- 2-Carboxylate PDB codes: 4tw7(A), 6txx(A).
		8. Ligand: 0OS × 1 {3-[(1s)-1-[({(2s)-1-[(3,5-Dichlorophenyl) sulfonyl]piperidin-2-Yl}carbonyl)oxy]-3-(3,4- Dimethoxyphenyl)propyl]phenoxy}acetic acid PDB code: 4drq(A).
		9. Ligand: 1KT × 1 1-[(9s,13r,13ar)-1,3-Dimethoxy-8-Oxo-5,8,9,10,11,12,13, 13a-Octahydro-6h-9,13-Epiminoazocino[2,1- A]isoquinolin-14-Yl]-2-(3,4,5-Trimethoxyphenyl)ethane- 1,2-Dione PDB code: 4jfi(A).
		10. Ligand: 1KU × 1 (1s,6r)-10-(1,3-Benzothiazol-6-Ylsulfonyl)-3-[2-(3,4- Dimethoxyphenoxy)ethyl]-3,10- Diazabicyclo[4.3.1]decan- 2-One PDB code: 4jfj(A).
		11. Ligand: 1KY × 1 6-({(1s,5r)-3-[2-(3,4-Dimethoxyphenoxy)ethyl]-2-Oxo-3, 9-Diazabicyclo[3.3.1]non-9-Yl}sulfonyl)-1,3- Benzothiazol-2(3h)-One PDB code: 4jfl(A).
		12. Ligand: 1KZ × 1 2-(3,4-Dimethoxyphenoxy)ethyl (2s)-1-[(2-Oxo-2,3- Dihydro-1,3-Benzothiazol-6- Yl)sulfonyl]piperidine-2- Carboxylate PDB code: 4jfm(A).
		13. Ligand: 1PE × 1 Pentaethylene glycol PDB code: 3o5l(A).
		14. Ligand: 37L × 1 (3-{(1r)-3-(3,4-Dimethoxyphenyl)-1-[({(2s)-1-[(2s)-2- (3,4,5-Trimethoxyphenyl)pent-4- Enoyl]piperidin-2- Yl}carbonyl)oxy]propyl}phenoxy)acetic acid PDB code: 4tw6(A).
		15. Ligand: 384 × 1 (1s,5s,6r)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-(2- Methoxyethoxy)-3-(2-Methoxyethyl)-3,10- Diazabicyclo[4.3.1]decan-2-One PDB code: 4tx0(A).
		16. Ligand: 3JP × 1 (1s,5s,6r)-10-[(3,5-Dichlorophenyl)sulfonyl]-3-[2-(3,4- Dimethoxyphenoxy)ethyl]-5-Ethyl-3,10- Diazabicyclo[4.3.1]decan-2-One PDB code: 4w9q(A).
		17. Ligand: 3JQ × 1 (1s,5s,6r)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-[(1r)-1, 2-Dihydroxyethyl]-3-[2-(3,4- Dimethoxyphenoxy)ethyl]-3, 10-Diazabicyclo[4.3.1]decan-2-One PDB code: 4w9o(A).
		18. Ligand: 3JR × 1 (1s,5s,6r)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-[(1s)-1, 2-Dihydroxyethyl]-3-[2-(3,4- Dimethoxyphenoxy)ethyl]-3, 10-Diazabicyclo[4.3.1]decan-2-One PDB code: 4w9p(A).
		19. Ligand: 4MZ × 1 4-Methylimidazole PDB code: 6tx5(A).
		20. Ligand: 5B8 × 1 (1r)-3-(3,4-Dimethoxyphenyl)-1-{3-[2-(Morpholin-4-Yl) ethoxy]phenyl}propyl (2s)-1-[(2s,3r)-2- Cyclohexyl-3- Hydroxybutanoyl]piperidine-2-Carboxylate PDB code: 5dit(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: ASP-THR-SER-ARG-MET-GLU-GLU-VAL-ASP × 1 PDB code: 5njx(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4jfi(A).
		2. Ligand: SO4 × 3 Sulfate ion PDB codes: 4drh(A),
		3. Ligand: CO3 × 1 Carbonate ion PDB code: 3o5f(A).
		4. Ligand: V1L × 1 Piperidin-2-One PDB code: 6tx7(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 3o5q(A), 4jfi(A).
		2. Ligand: NCA × 1 nicotinamide Nicotinamide PDB code: 6tx6(A).
		3. Ligand: HRZ × 1 1~{h}-Pyridin-2-One PDB code: 6tx4(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 4drh(A).
_Na		2. Metal: _NA × 1 PDB code: 4tw6(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4tw6(A).