Ligand clusters for UniProt code P21554

Ligand clusters for P21554: Cannabinoid receptor 1 from Homo sapiens

		Top 6 (of 17) ligand clusters Cluster 1. 5 ligand types 7 ligands Cluster 2. 4 ligand types 7 ligands Cluster 3. 4 ligand types 10 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 2 ligand types 4 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 5tjvA

Structures

PDB		Schematic diagram
5tjvA
5u09A
6kqiA
5xr8A
5xraA
		more ...

Cluster 1 contains 5 ligand types

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Ligand		Description
		1. Ligand: 7DY × 2 N-[(2s,3s)-4-(4-Chlorophenyl)-3-(3-Cyanophenyl)butan-2- Yl]-2-Methyl-2-{[5- (Trifluoromethyl)pyridin-2- Yl]oxy}propanamide PDB codes: 5tjv(A), 5u09(A).
		2. Ligand: 8D0 × 2 (6~{a}~{r},9~{r},10~{a}~{r})-9-(Hydroxymethyl)-3-(8- Isothiocyanato-2-Methyl-Octan-2-Yl)-6,6- Dimethyl- 6~{a},7,8,9,10,10~{a}-Hexahydrobenzo[c]chromen-1-Ol PDB codes: 5xr8(A), 6kpg(R).
		3. Ligand: 8D3 × 1 (6ar,10ar)-3-(8-Bromanyl-2-Methyl-Octan-2-Yl)-6,6,9- Trimethyl-6a,7,10,10a- Tetrahydrobenzo[c]chromen-1-Ol PDB code: 5xra(A).
		4. Ligand: 9GF × 1 2-[(1r,2r,5r)-5-Hydroxy-2-(3-Hydroxypropyl)cyclohexyl]- 5-(2-Methyloctan-2-Yl)phenol PDB code: 6kqi(A).
		5. Ligand: KCA × 1 Methyl n-{1-[(4-Fluorophenyl)methyl]-1h-Indazole-3- Carbonyl}-3-Methyl-L-Valinate PDB code: 6n4b(R).

Cluster 2 contains 4 ligand types

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Ligand		Description
		1. Ligand: CLR × 2 cholesterol Cholesterol PDB codes: 5xr8(A), 5xra(A).
		2. Ligand: PEG × 3 Di(hydroxyethyl)ether PDB codes: 5tjv(A), 5u09(A), 5xr8(A).
		3. Ligand: 9GL × 1 5-Chloro-3-Ethyl-N-{2-[4-(Piperidin-1-Yl)phenyl]ethyl}- 1h-Indole-2-Carboxamide PDB code: 6kqi(A).
		4. Ligand: OLA × 1 Oleic acid PDB code: 5xra(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: CLR × 2 cholesterol Cholesterol PDB codes: 6n4b(R),
		2. Ligand: PEG × 5 Di(hydroxyethyl)ether PDB codes: 5tjv(A), 5u09(A), 6kqi(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 5tjv(A), 5u09(A).
		4. Ligand: OLC × 1 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB code: 5xra(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: FMN × 2 flavin mononucleotide Flavin mononucleotide PDB codes: 5xr8(A), 5xra(A).

Cluster 5 contains 2 ligand types

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Ligand		Description
		1. Ligand: OLA × 2 Oleic acid PDB codes: 6kqi(A),
		2. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 5tjv(A), 5u09(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: OLC × 1 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB code: 5xra(A).