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Ligand clusters for UniProt code P28845

Ligand clusters for P28845: Corticosteroid 11-beta-dehydrogenase isozyme 1 from Homo sapiens

Top 6 (of 7) ligand clusters


Cluster 1. 44 ligand types 102 ligands		Cluster 2. 22 ligand types 29 ligands		Cluster 3. 1 ligand type 2 ligands		Cluster 4. 1 ligand type 1 ligand		Cluster 5. 1 ligand type 3 ligands		Cluster 6. 1 ligand type 1 ligand

Representative protein: 4ijuB

Structures

PDB		Schematic diagram

4ijuB
4hfrA
3ey4A
4bb6A
3tfqB
		more ...

Cluster 1 contains 44 ligand types (of which only 20 are listed. Click for all)

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Ligand

Description

1. Ligand: NAP × 2

Nadp nicotinamide-Adenine-Dinucleotide phosphate

PDB codes: 2bel(A), 2ilt(A).

2. Ligand: NDP × 4

Nadph dihydro-Nicotinamide-Adenine-Dinucleotide phosphate

PDB codes: 1xu7(A), 1xu9(A), 2rbe(A), 3byz(A).

3. Ligand: CBO × 1

Carbenoxolone

PDB code: 2bel(A).

4. Ligand: CPS × 2

3-[(3-Cholamidopropyl)dimethylammonio]-1- Propanesulfonate

PDB codes: 1xu7(A), 1xu9(A).

5. Ligand: H11 × 1

(5s)-2-(Cyclooctylamino)-5-Methyl-5-Propyl-1,3- Thiazol-4(5h)-One

PDB code: 3byz(A).

6. Ligand: NN1 × 1

2-(2-Chloro-4-Fluorophenoxy)-2-Methyl-N-[(1r,2s,3s,5s, 7s)-5-(Methylsulfonyl)-2-
Adamantyl]propanamide

PDB code: 2ilt(A).

7. Ligand: ZMG × 1

(5r)-2-[(2-Fluorophenyl)amino]-5-(1-Methylethyl)-1,3- Thiazol-4(5h)-One

PDB code: 2rbe(A).

8. Ligand: MES × 1

2-(N-Morpholino)-Ethanesulfonic acid

PDB code: 1xu9(A).

9. Ligand: NAP × 40

Nadp nicotinamide-Adenine-Dinucleotide phosphate

PDB codes: 2irw(A), 3bzu(A), 3ch6(A), 3czr(A), 3d3e(A), 3d4n(A), 3d5q(A), 3fco(A), 3frj(A), 3h6k(A), 3hfg(A), 3oq1(A), 3pdj(A), 3tfq(A), 4bb5(A), 4bb6(A), 4c7j(A), 4c7k(A), 4hfr(A), 4iju(A), 4ijv(A), 4ijw(A), 4yyz(A), 5pgu(A), 5pgv(A), 5pgw(A), 5pgx(A), 5pgy(A), 5qii(A), 6nj7(A),

10. Ligand: NDP × 5

PDB codes: 3ey4(A), 3qqp(A), 4hx5(A), 4k1l(A), 4p38(A).

11. Ligand: 07M × 2

8-{[(2-Cyanopyridin-3-Yl)methyl]sulfanyl}-6-Hydroxy-3, 4-Dihydro-1h-Pyrano[3,4-C]pyridine-5-
Carbonitrile

PDB codes: 3tfq(A),

12. Ligand: 1EN × 2

3-[1-(4-Chlorophenyl)cyclopropyl]-8-(2-Fluorophenoxy) [1,2,4]triazolo[4,3-A]pyridine

PDB codes: 4ijv(A),

13. Ligand: 1EO × 2

(1s,4s)-4-[8-(2-Fluorophenoxy)[1,2,4]triazolo[4,3- A]pyridin-3-Yl]bicyclo[2.2.1]heptan-1-Ol

PDB codes: 4iju(A),

14. Ligand: 1EQ × 2

3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2, 4]triazolo[4,3-A]pyridine

PDB codes: 4ijw(A),

15. Ligand: 311 × 2

(3,3-Dimethylpiperidin-1-Yl)(6-(3-Fluoro-4- Methylphenyl)pyridin-2-Yl)methanone

PDB codes: 3ch6(A),

16. Ligand: 7H6 × 2

(1s,4s,5s,9s)-9-Hydroxy-8-Methyl-4-(Propan-2-Yl) spiro[4.5]dec-7-Ene-1-Carboxylic acid

PDB codes: 6nj7(A),

17. Ligand: 8K7 × 2

1-(3-Hydroxyazetidin-1-Yl)-2-[(2s,5r)-2-(4- Fluorophenyl)-5-Methoxyadamantan-2-Yl]ethan-1-One

PDB codes: 5pgv(A),

18. Ligand: 8KA × 2

2-[(1r,3s,5r,7s)-2-[4-(4-Fluorophenyl)phenyl]-6- Hydroxyadamantan-2-Yl]-1-(3-Hydroxyazetidin-1-
Yl) ethan-1-One

PDB codes: 5pgw(A),

19. Ligand: 8KD × 2

2-(2-Benzyl-6-Hydroxyadamantan-2-Yl)-1-(3- Hydroxyazetidin-1-Yl)ethan-1-One

PDB codes: 5pgx(A),

20. Ligand: 8KG × 2

2-[(5r,7s)-6-Hydroxy-2-Phenyladamantan-2-Yl]-1-(3- Hydroxyazetidin-1-Yl)ethan-1-One

PDB codes: 5pgy(A),

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Cluster 2 contains 22 ligand types (of which only 20 are listed. Click for all)

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Ligand

Description

1. Ligand: CPS × 3

3-[(3-Cholamidopropyl)dimethylammonio]-1- Propanesulfonate

PDB codes: 1xu7(A), 1xu9(A), 3czr(A).

2. Ligand: 1EN × 2

3-[1-(4-Chlorophenyl)cyclopropyl]-8-(2-Fluorophenoxy) [1,2,4]triazolo[4,3-A]pyridine

PDB codes: 4ijv(A),

3. Ligand: 1EO × 2

(1s,4s)-4-[8-(2-Fluorophenoxy)[1,2,4]triazolo[4,3- A]pyridin-3-Yl]bicyclo[2.2.1]heptan-1-Ol

PDB codes: 4iju(A),

4. Ligand: 1EQ × 2

3-[1-(4-Chlorophenyl)cyclopropyl]-8-Cyclopropyl[1,2, 4]triazolo[4,3-A]pyridine

PDB codes: 4ijw(A),

5. Ligand: 311 × 2

(3,3-Dimethylpiperidin-1-Yl)(6-(3-Fluoro-4- Methylphenyl)pyridin-2-Yl)methanone

PDB codes: 3ch6(A),

6. Ligand: 8KA × 2

2-[(1r,3s,5r,7s)-2-[4-(4-Fluorophenyl)phenyl]-6- Hydroxyadamantan-2-Yl]-1-(3-Hydroxyazetidin-1-
Yl) ethan-1-One

PDB codes: 5pgw(A),

7. Ligand: 14M × 1

{(3s)-1-[5-(Cyclohexylcarbamoyl)-6-(Propylsulfanyl) pyridin-2-Yl]piperidin-3-Yl}acetic acid

PDB code: 4hfr(A).

8. Ligand: 17R × 1

(2r)-4-[4-Fluoro-2-(Trifluoromethyl)phenyl]-2-Methyl-1- {[3-(1h-1,2,4-Triazol-1-
Yl)phenyl]sulfonyl}piperazine

PDB code: 3hfg(A).

9. Ligand: 19V × 1

4-[5-(4-Tert-Butylpiperazin-1-Yl)pyridin-2-Yl]-N-[(1r, 2s,3s,5s,7s)-5-
Carbamoyltricyclo[3.3.1.1~3,7~]dec-2- Yl]-3,4-Dihydroquinoxaline-1(2h)-Carboxamide

PDB code: 4hx5(A).

10. Ligand: 21T × 1

4-[4-(2-Adamantylcarbamoyl)-5-Tert-Butyl-Pyrazol-1- Yl]benzoic acid

PDB code: 4p38(A).

11. Ligand: 33T × 1

3-Chloro-4-({(2r)-4-[4-Fluoro-2-(Trifluoromethyl) phenyl]-2-Methylpiperazin-1-Yl}sulfonyl)benzamide

PDB code: 3h6k(A).

12. Ligand: 3OQ × 1

3-(2-Fluoroethyl)-4-({4-[(2s)-1,1,1-Trifluoro-2- Hydroxypropan-2-Yl]phenyl}sulfonyl)benzonitrile

PDB code: 3oq1(A).

13. Ligand: 3PJ × 1

N-[Trans-4-(3-Amino-3-Oxopropyl)-4-Phenylcyclohexyl]-N- Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-
Hydroxy-1- Methylethyl]benzamide

PDB code: 3pdj(A).

14. Ligand: 4YQ × 1

4-Cyclopropyl-2-(2-Hydroxyethyloxy)-N-[(1s,3r)-5- Oxidanyl-2-Adamantyl]-1,3-Thiazole-5-Carboxamide

PDB code: 4c7j(A).

15. Ligand: 8KG × 1

2-[(5r,7s)-6-Hydroxy-2-Phenyladamantan-2-Yl]-1-(3- Hydroxyazetidin-1-Yl)ethan-1-One

PDB code: 5pgy(A).

16. Ligand: A49 × 1

N-{1-[(1-Carbamoylcyclopropyl)methyl]piperidin-4-Yl}-N- Cyclopropyl-4-[(1s)-2,2,2-Trifluoro-1-
Hydroxy-1- Methylethyl]benzamide

PDB code: 3frj(A).

17. Ligand: HD1 × 1

6-(4-Methylpiperazin-1-Yl)-N-[(1r,3s)-5- Oxidanyl-2-Adamantyl]-2-Propylsulfanyl-Pyridine-3-
Carboxamide

PDB code: 4bb6(A).

18. Ligand: HD2 × 1

4-Cyclopentyl-N-[(1s,3r)-5-Oxidanyl-2- Adamantyl]-2-[[(3s)-Oxolan-3-Yl]amino]pyrimidine-5-
Carboxamide

PDB code: 4bb5(A).

19. Ligand: HJG × 1

2-{3-[1-(4-Chlorophenyl)cyclopropyl][1,2,4]triazolo[4, 3-A]pyridin-8-Yl}propan-2-Ol

PDB code: 5qii(A).

20. Ligand: IIG × 1

N-Cyclopropyl-N-(Cis-4-Cyclopropyl-4- Hydroxycyclohexyl)-4-[(1s)-2,2,2-Trifluoro-1-Hydroxy- 1-
Methylethyl]benzamide

PDB code: 3fco(A).

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Ligand clusters for UniProt code P28845

Ligand clusters for P28845: Corticosteroid 11-beta-dehydrogenase isozyme 1 from Homo sapiens

Structures

Cluster 1 contains 44 ligand types (of which only 20 are listed. Click for all)

Cluster 2 contains 22 ligand types (of which only 20 are listed. Click for all)

Cluster 3 contains 1 ligand type

Cluster 4 contains 1 ligand type

Cluster 5 contains 1 ligand type

Cluster 6 contains 1 ligand type