Ligand clusters for UniProt code Q9NPI1

Ligand clusters for Q9NPI1: Bromodomain-containing protein 7 from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 7 ligand types 10 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 1 ligand Cluster 4. 4 ligand types 4 ligands Cluster 5. 3 ligand types 5 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 6v0qA

Structures

PDB		Schematic diagram
6v0qA
6v16A
6v1eA
6v17A
6v1fA
		more ...

Cluster 1 contains 7 ligand types

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Ligand		Description
		1. Ligand: 5U6 × 2 4-[4-[(Dimethylamino)methyl]-2,5-Dimethoxy-Phenyl]-2- Methyl-2,7-Naphthyridin-1-One PDB codes: 5mq1(A), 6v1f(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6ppa(A),
		3. Ligand: QMG × 2 3-(6-Acetylpyrrolo[1,2-A]pyrimidin-8-Yl)-N-Cyclopropyl- 4-Methylbenzamide PDB codes: 6v16(A),
		4. Ligand: 5SW × 1 4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2- Methyl-2,7-Naphthyridin-1-One PDB code: 6v1e(A).
		5. Ligand: BMF × 1 Bromosporine PDB code: 6v1h(A).
		6. Ligand: EAE × 1 (1~{z})-1-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2- Ylidene)propan-2-One PDB code: 6v0q(A).
		7. Ligand: H1B × 1 N'-[1,1-Bis(oxidanylidene)thian-4-Yl]-5-Ethyl-4- Oxidanylidene-7-[3- (Trifluoromethyl)phenyl]thieno[3,2- C]pyridine-2-Carboximidamide PDB code: 6v17(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: QMG × 1 3-(6-Acetylpyrrolo[1,2-A]pyrimidin-8-Yl)-N-Cyclopropyl- 4-Methylbenzamide PDB code: 6v16(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: EAE × 1 (1~{z})-1-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2- Ylidene)propan-2-One PDB code: 6v0q(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6v16(B).
_Zn		2. Metal: _ZN × 1 PDB code: 5mq1(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6v16(A).
		4. Ligand: PO4 × 1 Phosphate ion PDB code: 6v0q(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6v0q(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 5mq1(A), 6v1h(A).
		3. Ligand: PO4 × 1 Phosphate ion PDB code: 6ppa(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5mq1(A), 6v1e(A).
		2. Ligand: HEZ × 1 Hexane-1,6-Diol PDB code: 6v16(B).