Ligand clusters for UniProt code P07550

Ligand clusters for P07550: Beta-2 adrenergic receptor from Homo sapiens

		Top 6 (of 17) ligand clusters Cluster 1. 11 ligand types 23 ligands Cluster 2. 6 ligand types 67 ligands Cluster 3. 4 ligand types 19 ligands Cluster 4. 4 ligand types 12 ligands Cluster 5. 3 ligand types 14 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 6e67A

Structures

PDB		Schematic diagram
6e67A
3pdsA
2rh1A
5d6lA
5x7dA
		more ...

Cluster 1 contains 11 ligand types

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Ligand		Description
		1. Ligand: TIM × 3 timolol (2s)-1-(Tert-Butylamino)-3-[(4-Morpholin-4-Yl-1,2,5- Thiadiazol-3-Yl)oxy]propan-2-Ol PDB codes: 3d4s(A), 6ps1(A), 6ps6(A).
		2. Ligand: 5FW × 1 isoprenaline Isoprenaline PDB code: 7dhr(R).
		3. Ligand: 68H × 1 levosalbutamol Salbutamol PDB code: 7dhi(R).
		4. Ligand: CVD × 1 carvedilol (2s)-1-(8h-Carbazol-4-Yloxy)-3-[2-(2-Methoxyphenoxy) ethylamino]propan-2-Ol PDB code: 6ps3(A).
		5. Ligand: CAU × 5 (2s)-1-(9h-Carbazol-4-Yloxy)-3-(Isopropylamino)propan- 2-Ol PDB codes: 2rh1(A), 4gbr(A), 5d6l(A), 5x7d(A), 6ps0(A).
		6. Ligand: JTZ × 4 (2s)-1-[(1-Methylethyl)amino]-3-(2-Prop-2-En-1- Ylphenoxy)propan-2-Ol PDB codes: 3nya(A), 6oba(A), 6prz(A), 6ps2(A).
		7. Ligand: P0G × 3 8-[(1r)-2-{[1,1-Dimethyl-2-(2-Methylphenyl) ethyl]amino}-1-Hydroxyethyl]-5-Hydroxy-2h-1,4- Benzoxazin-3(4h)-One PDB codes: 3p0g(A), 6e67(A), 6ni3(R).
		8. Ligand: JRZ × 2 (2s,3s)-1-[(7-Methyl-2,3-Dihydro-1h-Inden-4-Yl)oxy]-3- [(1-Methylethyl)amino]butan-2-Ol PDB codes: 3ny8(A), 6ps4(A).
		9. Ligand: ERC × 1 8-Hydroxy-5-[(1r)-1-Hydroxy-2-({2-[3-Methoxy-4-(3- Sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin- 2(1h)-One PDB code: 3pds(A).
		10. Ligand: JSZ × 1 Ethyl 4-({(2s)-2-Hydroxy-3-[(1-Methylethyl) amino]propyl}oxy)-3-Methyl-1-Benzofuran-2-Carboxylate PDB code: 3ny9(A).
		11. Ligand: SNP × 1 1-(Isopropylamino)-3-(1-Naphthyloxy)-2-Propanol PDB code: 6ps5(A).

Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: CLR × 27 cholesterol Cholesterol PDB codes: 2rh1(A), 3d4s(A), 3ny8(A), 3ny9(A), 3nya(A), 3pds(A), 5d6l(A), 5x7d(A), 6oba(A), 6prz(A), 6ps0(A), 6ps1(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps5(A), 6ps6(A).
		2. Ligand: PLM × 2 palmitic acid Palmitic acid PDB codes: 2rh1(A), 5d6l(A).
		3. Ligand: OLC × 27 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 3d4s(A), 3ny8(A), 3ny9(A), 6prz(A), 6ps0(A), 6ps1(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps5(A), 6ps6(A),
		4. Ligand: OLA × 6 Oleic acid PDB codes: 3ny8(A), 6prz(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps6(A).
		5. Ligand: OLB × 4 (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 6ps2(A),
		6. Ligand: PGE × 1 Triethylene glycol PDB code: 3ny8(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: OLC × 11 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 3d4s(A), 6prz(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps5(A), 6ps6(A),
		2. Ligand: OLA × 6 Oleic acid PDB codes: 6prz(A), 6ps0(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps6(A).
		3. Ligand: M3J × 1 6-Bromo-N~2~-Phenylquinazoline-2,4-Diamine PDB code: 6oba(A).
		4. Ligand: OLB × 1 (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB code: 6ps2(A).

Cluster 4 contains 4 ligand types

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Ligand		Description
		1. Ligand: OLA × 5 Oleic acid PDB codes: 6ps1(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps6(A).
		2. Ligand: OLC × 4 (2r)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB codes: 6prz(A), 6ps0(A), 6ps4(A), 6ps6(A).
		3. Ligand: BU1 × 2 1,4-Butanediol PDB codes: 2rh1(A), 5d6l(A).
		4. Ligand: OLB × 1 (2s)-2,3-Dihydroxypropyl (9z)-Octadec-9-Enoate PDB code: 6ps2(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: SO4 × 12 Sulfate ion PDB codes: 2rh1(A), 3kj6(A), 3pds(A), 5d6l(A), 6prz(A), 6ps0(A), 6ps1(A), 6ps2(A), 6ps3(A), 6ps4(A), 6ps5(A), 6ps6(A).
		2. Ligand: 8VS × 1 4-Carbamoyl-N-[(2r)-2-Cyclohexyl-2-Phenylacetyl]-L- Phenylalanyl-3-Bromo-N-Methyl-L- Phenylalaninamide PDB code: 5x7d(A).
		3. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 5x7d(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: BGC-GLC × 1 BGC=Beta-D-Glucopyranose, GLC=Alpha-D-Glucopyranose. PDB code: 5d6l(A).
		2. Ligand: GLC-GLC × 1 GLC=Alpha-D-Glucopyranose. PDB code: 2rh1(A).