Ligand clusters for UniProt code P33247

Ligand clusters for P33247: Squalene--hopene cyclase from Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / JCM 5260 / NBRC 15652 / NCIMB 11725 / NRRL B-14509 / 104-1A)

		4 ligand clusters Cluster 1. 15 ligand types 15 ligands Cluster 2. 1 ligand type 14 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand
Representative protein: 2sqcA

Structures

PDB		Schematic diagram
2sqcA
1h35A
1o79A
1h36A
1h37A
		more ...

Cluster 1 contains 15 ligand types

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Ligand		Description
		1. Ligand: SQA × 1 2-Azasqualene PDB code: 1ump(A).
		2. Ligand: LDA × 1 Lauryl dimethylamine-N-Oxide PDB code: 1sqc(A).
		3. Ligand: C8E × 1 (Hydroxyethyloxy)tri(ethyloxy)octane PDB code: 2sqc(A).
		4. Ligand: R88 × 1 (4-Bromophenyl)[4-({(2e)-4-[Cyclopropyl(methyl) amino]but-2-Enyl}oxy)phenyl]methanone PDB code: 1h36(A).
		5. Ligand: R03 × 1 Allyl-{6-[3-(4-Bromo-Phenyl)-1-Methyl-1h-Indazol-6- Yl]oxy}hexyl)-N-Methylamine PDB code: 1h39(A).
		6. Ligand: R19 × 1 Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl- }-Methyl-Amin PDB code: 1o6r(A).
		7. Ligand: R23 × 1 Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]- Carbaminic acid-(4-Chlorophenyl)-Ester PDB code: 1o79(A).
		8. Ligand: R46 × 1 N-{6-[4-(6-Bromo-1,2-Benzisothiazol-3-Yl) phenoxy]hexyl}-N-Methyl-2-Propen-1-Amine PDB code: 1h3b(A).
		9. Ligand: R71 × 1 [4-({6-[Allyl(methyl)amino]hexyl}oxy)-2- Fluorophenyl](4-Bromophenyl)methanone PDB code: 1gsz(A).
		10. Ligand: R79 × 1 N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6- Yl]oxy}hexyl)-N-Methylprop-2-En-1-Amine PDB code: 1h3c(A).
		11. Ligand: W37 × 1 N-(6-{[1-(4-Bromophenyl)isoquinolin-6-Yl]oxy}hexyl)-N- Methylprop-2-En-1-Amine PDB code: 1o6h(A).
		12. Ligand: R02 × 1 {4-[((1s,2s)-2-{[Allyl(cyclopropyl) amino]methyl}cyclopropyl)methoxy]phenyl}(4- Bromophenyl)methanone PDB code: 1h37(A).
		13. Ligand: R17 × 1 Allyl-{4-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-But-2- Enyl}-Methyl-Amine PDB code: 1o6q(A).
		14. Ligand: R04 × 1 (2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl- 1h-Indazol-6-Yl]oxy}-N-Methyl-2-Buten-1-Amine PDB code: 1h3a(A).
		15. Ligand: R01 × 1 (4'-{[Allyl(methyl)amino]methyl}-1,1'-Biphenyl-4-Yl)(4- Bromophenyl)methanone PDB code: 1h35(A).

Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: C8E × 14 (Hydroxyethyloxy)tri(ethyloxy)octane PDB codes: 1gsz(A), 1h35(A), 1h36(A), 1h37(A), 1h39(A), 1h3a(A), 1h3b(A), 1h3c(A), 1o6h(A), 1o6q(A), 1o6r(A), 1o79(A), 1ump(A), 2sqc(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: C8E × 1 (Hydroxyethyloxy)tri(ethyloxy)octane PDB code: 2sqc(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: C8E × 1 (Hydroxyethyloxy)tri(ethyloxy)octane PDB code: 2sqc(A).