Ligand clusters for UniProt code Q9H8M2

Ligand clusters for Q9H8M2: Bromodomain-containing protein 9 from Homo sapiens

		Top 6 (of 12) ligand clusters Cluster 1. 42 ligand types 55 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5twxA

Structures

PDB		Schematic diagram
5twxA
5twxC
6hm0A
4yyhA
6v1bA
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Cluster 1 contains 42 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4yy4(A), 6uzf(A).
		2. Ligand: B49 × 1 sunitinib N-[2-(Diethylamino)ethyl]-5-[(Z)-(5-Fluoro-2-Oxo-1,2- Dihydro-3h-Indol-3-Ylidene)methyl]-2,4- Dimethyl-1h- Pyrrole-3-Carboxamide PDB code: 6v0x(A).
		3. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 4uiv(A), 4uiw(A), 5i40(A), 6y7h(A),
		4. Ligand: 7P7 × 4 N-[6-({2-[(3s)-2,6-Dioxopiperidin-3-Yl]-1,3-Dioxo-2,3- Dihydro-1h-Isoindol-4-Yl}oxy)hexyl]-2-(4-{2- [N-(1,1- Dioxo-1lambda~6~-Thian-4-Yl)carbamimidoyl]-5-Methyl-4- Oxo-4,5-Dihydrothieno[3,2- C]pyridin-7-Yl}-2- Methoxyphenoxy)acetamide PDB codes: 5twx(A),
		5. Ligand: EAE × 2 (1~{z})-1-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2- Ylidene)propan-2-One PDB codes: 6v0s(A),
		6. Ligand: H1B × 2 N'-[1,1-Bis(oxidanylidene)thian-4-Yl]-5-Ethyl-4- Oxidanylidene-7-[3- (Trifluoromethyl)phenyl]thieno[3,2- C]pyridine-2-Carboximidamide PDB codes: 4uiw(A), 6v1b(A).
		7. Ligand: OF5 × 2 1-[8-(2,5-Dimethoxyphenyl)pyrrolo[1,2-A]pyrimidin-6- Yl]ethanone PDB codes: 6y7j(A),
		8. Ligand: QMG × 2 3-(6-Acetylpyrrolo[1,2-A]pyrimidin-8-Yl)-N-Cyclopropyl- 4-Methylbenzamide PDB codes: 6v14(A), 6y7l(A).
		9. Ligand: 43U × 1 6-(5-Bromo-2-Methoxyphenyl)-9h-Purin-2-Amine PDB code: 4xy8(A).
		10. Ligand: 4L2 × 1 1,4-Dimethyl-7-(2-Oxopiperidin-1-Yl)quinolin-2(1h)-One PDB code: 4z6h(A).
		11. Ligand: 4L3 × 1 Tert-Butyl [(2r,3s)-1-(1,4-Dimethyl-2-Oxo-1,2- Dihydroquinolin-7-Yl)-6-Oxo-2-Phenylpiperidin-3- Yl]carbamate PDB code: 4z6i(A).
		12. Ligand: 5L0 × 1 1-[1-(Imidazo[1,2-A]pyridin-5-Yl)-7-(Morpholin-4-Yl) indolizin-3-Yl]ethanone PDB code: 5e9v(A).
		13. Ligand: 5SW × 1 4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2- Methyl-2,7-Naphthyridin-1-One PDB code: 5eu1(A).
		14. Ligand: 5TU × 1 4-(1,5-Dimethyl-6-Oxidanylidene-Pyridin-3-Yl)benzamide PDB code: 5f25(A).
		15. Ligand: 5TY × 1 2-(Dimethylamino)-6-Methyl-Pyrido[4,3-D]pyrimidin-5-One PDB code: 5f2p(A).
		16. Ligand: 5U2 × 1 5-[3,5-Dimethoxy-4-[(3-Oxidanylazetidin-1-Yl) methyl]phenyl]-1,3-Dimethyl-Pyridin-2-One PDB code: 5f1l(A).
		17. Ligand: 5U6 × 1 4-[4-[(Dimethylamino)methyl]-2,5-Dimethoxy-Phenyl]-2- Methyl-2,7-Naphthyridin-1-One PDB code: 5f1h(A).
		18. Ligand: 67B × 1 N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h- Pyrrolo[2,3-C]pyridin-4-Yl)benzamide PDB code: 5i7x(A).
		19. Ligand: 67C × 1 3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3- C]pyridin-4-Yl]-N,N-Dimethylbenzamide PDB code: 6bqa(A).
		20. Ligand: 67N × 1 6-Methyl-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One PDB code: 5i40(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6uzf(A), 6v14(A).
		2. Ligand: GBW × 1 (2~{s},4~{s})-1-[(2~{s})-2-[2-[2-[2-[4-[[2,6-Dimethoxy- 4-(2-Methyl-1-Oxidanylidene-2,7- Naphthyridin-4-Yl) phenyl]methyl]piperazin-1- Yl]ethoxy]ethoxy]ethanoylamino]-3,3-Dimethyl- Butanoyl]-~{N}-[[4-(4-Methyl-1,3-Thiazol-5-Yl) phenyl]methyl]-4-Oxidanyl-Pyrrolidine-2- Carboxamide PDB code: 6hm0(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5e9v(A).
		2. Ligand: I0D × 1 4-Chloranyl-2-Methyl-5-[(2-Methyl-3,4-Dihydro-1~{h}- Isoquinolin-5-Yl)amino]pyridazin-3-One PDB code: 5mky(A).

Cluster 4 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6y7h(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6uzf(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5i40(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5i40(A).