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Ligand clusters for UniProt code P10275

Ligand clusters for P10275: Androgen receptor from Homo sapiens

Top 6 (of 16) ligand clusters


Cluster 1. 25 ligand types 31 ligands		Cluster 2. 28 ligand types 79 ligands		Cluster 3. 10 ligand types 12 ligands		Cluster 4. 3 ligand types 3 ligands		Cluster 5. 2 ligand types 2 ligands		Cluster 6. 3 ligand types 6 ligands

Representative protein: 1xj7A

Structures

PDB		Schematic diagram

1xj7A
4u4kA
4olmA
2hvcA
5jjmA
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Cluster 1 contains 25 ligand types (of which only 20 are listed. Click for all)

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Ligand

Description

1. Ligand: GLY-ALA-PHE-GLN-ASN-LEU-PHE-GLN-SER-VAL × 4

PDB codes: 1xow(A), 2q7i(A), 2q7k(A), 5cj6(A).

2. Ligand: GLY-ALA-PHE-GLN-ASN-LEU-PHE-GLN-SER × 2

PDB codes: 4oh5(A), 4ok1(A).

3. Ligand: SER-ALA-PHE-SER-ARG-TYR-TYR-THR × 2

PDB codes: 4ofu(A), 4oj9(A).

4. Ligand: TYR-ILE-PHE-ASP-LEU-PHE-TYR-LYS-ARG × 2

PDB codes: 4oh6(A), 4okb(A).

5. Ligand: 056 × 1

3-[(2,4-Dichlorophenyl)methylsulfanylmethyl] benzoic acid

PDB code: 2ylp(A).

6. Ligand: 2MI × 1

2-Methyl-1h-Indole

PDB code: 2pio(A).

7. Ligand: 4HY × 1

[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]-Acetic acid

PDB code: 2piu(A).

8. Ligand: ASP-SER-ALA-PHE-SER-ARG-TYR-TYR × 1

PDB code: 4olm(A).

9. Ligand: ASP-THR-LEU-PHE-SER-GLN-HIS-TYR × 1

PDB code: 4okw(A).

10. Ligand: AV6 × 1

4-(1h-Perimidin-2-Yl)benzene-1,2-Diol

PDB code: 2yhd(A).

11. Ligand: GLY-ALA-PHE-GLN-ASN-LEU-PHE-GLN × 1

PDB code: 4oey(A).

12. Ligand: HIS-LYS-ILE-LEU-HIS-ARG-LEU × 1

PDB code: 1t65(A).

13. Ligand: HIS-LYS-LYS-LEU-LEU-GLN-LEU-LEU-THR × 1

PDB code: 1xj7(A).

14. Ligand: K10 × 1

1-Tert-Butyl-3-(2,5-Dimethylbenzyl)-1h-Pyrazolo[3,4- D]pyrimidin-4-Amine

PDB code: 2pip(L).

15. Ligand: LYS-LEU-LEU-PHE × 1

PDB code: 2pkl(A).

16. Ligand: PRO-SER-ILE-LEU-LYS-LYS-ILE-LEU-LEU-GLU × 1

PDB code: 2z4j(A).

17. Ligand: RB1 × 1

3-[(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-3- Yl)methyl]phenol

PDB code: 2piq(A).

18. Ligand: SER-ALA-PHE-SER-ARG-LEU-TYR-THR × 1

PDB code: 4oez(A).

19. Ligand: SER-ALA-PHE-SER-ARG-LEU-TYR-THR-ARG × 1

PDB code: 4oha(A).

20. Ligand: SER-LEU-GLN-PHE-LEU-LEU-ASP × 1

PDB code: 5jjm(A).

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Cluster 2 contains 28 ligand types (of which only 20 are listed. Click for all)

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Ligand

Description

1. Ligand: TES × 11

testosterone

Testosterone

PDB codes: 2am9(A), 2q7i(A), 2q7j(A), 2q7k(A), 2q7l(A), 2yhd(A), 2ylo(A), 2ylp(A), 2ylq(A), 3zqt(A), 4hlw(A).

2. Ligand: HFT × 8

flutamide

Hydroxyflutamide

PDB codes: 2ax6(A), 4ogh(A), 4oh5(A), 4oh6(A), 4oha(A), 4oil(A), 4oiu(A), 4oj9(A).

3. Ligand: CA4 × 1

cyproterone acetate

Cyproterone acetate

PDB code: 2oz7(A).

4. Ligand: ZK5 × 1

fludrocortisone

9alpha-Fluorocortisol

PDB code: 1gs4(A).

5. Ligand: DHT × 23

5-Alpha-Dihydrotestosterone

PDB codes: 1t5z(A), 1t63(A), 1t65(A), 1xj7(A), 2ama(A), 2pio(A), 2pip(L), 2piq(A), 2pit(A), 2piu(A), 2pix(A), 2pkl(A), 2z4j(A), 3l3x(A), 3l3z(A), 4k7a(A), 4oea(A), 4oed(A), 4oey(A), 4oez(A), 4ofr(A), 4ofu(A), 5jjm(A).

6. Ligand: 198 × 8

R-Bicalutamide

PDB codes: 1z95(A), 4ojb(A), 4ok1(A), 4okb(A), 4okt(A), 4okw(A), 4okx(A), 4olm(A).

7. Ligand: R18 × 4

(17beta)-17-Hydroxy-17-Methylestra-4,9,11-Trien-3-One

PDB codes: 1e3g(A), 1xow(A), 1xq3(A), 2ao6(A).

8. Ligand: FHM × 3

S-3-(4-Fluorophenoxy)-2-Hydroxy-2-Methyl-N-[4-Nitro-3- (Trifluoromethyl)phenyl]propanamide

PDB codes: 2ax7(A), 2ax8(A), 2axa(A).

9. Ligand: 17H × 1

17-Hydroxy-18a-Homo-19-Nor-17alpha-Pregna-4,9,11-Trien- 3-One

PDB code: 2amb(A).

10. Ligand: 3B6 × 1

(2s)-N-(4-Cyano-3-Iodophenyl)-3-(4-Cyanophenoxy)-2- Hydroxy-2-Methylpropanamide

PDB code: 3b65(A).

11. Ligand: 3E0 × 1

4-[4-(3-Fluoro-2-Methoxyphenyl)-1,3-Thiazol-2- Yl]morpholine

PDB code: 4u4k(A).

12. Ligand: 51Y × 1

2-Chloro-4-{[(1r,2r)-2-Hydroxy-2- Methylcyclopentyl]amino}-3-Methylbenzonitrile

PDB code: 5cj6(A).

13. Ligand: 77T × 1

2-Fluoro-4-[(2s,3s)-3-Hydroxy-2,3-Dimethylpyrrolidin-1- Yl]-3-Methylbenzonitrile

PDB code: 5t8j(A).

14. Ligand: 77U × 1

2-Chloro-4-[(2s,3s)-3-Hydroxy-2-Methylpyrrolidin-1-Yl]- 3-Methylbenzonitrile

PDB code: 5t8e(A).

15. Ligand: 97A × 1

4-[(2s,3s)-2-Ethyl-3-Hydroxy-5-Oxopyrrolidin-1-Yl]-2- (Trifluoromethyl)benzonitrile

PDB code: 5v8q(A).

16. Ligand: 9FG × 1

5-(2-Fluoro-4-Hydroxyphenyl)-1-Methyl-1h-Pyrrole-2- Carbonitrile

PDB code: 5vo4(A).

17. Ligand: B5R × 1

(2s)-3-(4-Chloro-3-Fluorophenoxy)-N-[4-Cyano-3- (Trifluoromethyl)phenyl]-2-Hydroxy-2-
Methylpropanamide

PDB code: 3b5r(A).

18. Ligand: B66 × 1

4-{[(1r,2s)-1,2-Dihydroxy-2-Methyl-3-(4-Nitrophenoxy) propyl]amino}-2-(Trifluoromethyl)benzonitrile

PDB code: 3b66(A).

19. Ligand: B67 × 1

(2s)-2-Hydroxy-2-Methyl-N-[4-Nitro-3- (Trifluoromethyl)phenyl]-3-(Pentafluorophenoxy) propanamide

PDB code: 3b67(A).

20. Ligand: B68 × 1

(2s)-3-[4-(Acetylamino)phenoxy]-2-Hydroxy-2-Methyl-N- [4-Nitro-3-
(Trifluoromethyl)phenyl]propanamide

PDB code: 3b68(A).

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Cluster 3 contains 10 ligand types

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Ligand

Description

1. Ligand: 30Z × 1

masoprocol

4-[(2r,3s)-3-[(3,4-Dihydroxyphenyl)methyl]-2- Methylbutyl]benzene-1,2-Diol

PDB code: 3zqt(A).

2. Ligand: FLF × 1

flufenamic acid

2-[[3-(Trifluoromethyl)phenyl]amino] benzoic acid

PDB code: 2pix(A).

3. Ligand: 4HY × 3

[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]-Acetic acid

PDB codes: 2pit(A), 2piu(A), 2pkl(A).

4. Ligand: 056 × 1

3-[(2,4-Dichlorophenyl)methylsulfanylmethyl] benzoic acid

PDB code: 2ylp(A).

5. Ligand: 17W × 1

2-[(2-Phenoxyethyl)sulfanyl]-1h-Benzimidazole

PDB code: 4hlw(A).

6. Ligand: 2MI × 1

2-Methyl-1h-Indole

PDB code: 2pio(A).

7. Ligand: EDO × 1

1,2-Ethanediol

PDB code: 4u4k(A).

8. Ligand: ICO × 1

1h-Indole-3-Carboxylic acid

PDB code: 2pip(L).

9. Ligand: YLO × 1

1-[2-(4-Methylphenoxy)ethyl]-2-(2- Phenoxyethylsulfanyl)benzimidazole

PDB code: 2ylo(A).

10. Ligand: YLQ × 1

3-[1-[2-(4-Methylphenoxy)ethyl]benzimidazol- 2-Yl]sulfanylpropanoic acid

PDB code: 2ylq(A).

Cluster 4 contains 3 ligand types

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Ligand

Description

1. Ligand: MXD × 1

minoxidil

6-Piperidin-1-Ylpyrimidine-2,4-Diamine 3-Oxide

PDB code: 4k7a(A).

2. Ligand: EPE × 1

4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid

PDB code: 2amb(A).

3. Ligand: MES × 1

2-(N-Morpholino)-Ethanesulfonic acid

PDB code: 2pnu(A).

Cluster 5 contains 2 ligand types

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Ligand

Description

_Zn

1. Metal: _ZN × 1

PDB code: 5jjm(A).

2. Ligand: FME-SER-ASP × 1

FME=N-Formylmethionine.

PDB code: 5jjm(A).

Cluster 6 contains 3 ligand types

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Ligand

Description

1. Ligand: GOL × 1

glycerin

Glycerol

PDB code: 4oj9(A).

2. Ligand: DTT × 3

2,3-Dihydroxy-1,4-Dithiobutane

PDB codes: 2am9(A), 2amb(A), 2pnu(A).

3. Ligand: EDO × 2

1,2-Ethanediol

PDB codes: 4u4k(A), 5jjm(A).