Ligand clusters for UniProt code O70370

Ligand clusters for O70370: Cathepsin S OS=Mus musculus GN=Ctss PE=1 SV=2

		Top 6 (of 8) ligand clusters Cluster 1. 7 ligand types 8 ligands Cluster 2. 2 ligand types 2 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 4bpvA

Structures

PDB		Schematic diagram
4bpvA
4bs6A
4bqvA
4bs5A
4bsqA
		more ...

Cluster 1 contains 7 ligand types

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Ligand		Description
		1. Ligand: OFH × 2 (4r)-4-[(2-Chloro-4-{[(2s)-1,1,1- Trifluoropropan-2-Yl]oxy}phenyl)sulfonyl]-N-{1-[(E)- Iminomethyl]cyclopropyl}-1-{[1-(Trifluoromethyl) cyclopropyl]carbonyl}-L-Prolinamide PDB codes: 4bpv(A),
		2. Ligand: 2EV × 1 (3s,4s)-1-[(2-Chlorophenyl)sulfonyl]-N-[(2e)-2- Iminoethyl]-4-(Morpholin-4-Ylcarbonyl)pyrrolidine- 3- Carboxamide PDB code: 4mzs(A).
		3. Ligand: 2EW × 1 (3s,4s)-N-[(2e)-2-Iminoethyl]-4-(Morpholin-4- Ylcarbonyl)-1-(Phenylsulfonyl)pyrrolidine-3- Carboxamide PDB code: 4mzo(A).
		4. Ligand: 8PW × 1 (2s,4r)-N-(1-Cyanocyclopropyl)-1-(1- Methylcyclopropanecarbonyl)-4-[4-(2,2,2- Trifluoroethoxy)-2- (Trifluoromethyl)phenyl] sulfonylpyrrolidine-2-Carboxamide PDB code: 4bqv(A).
		5. Ligand: JG7 × 1 (2s,4r)-4-[2-Chloranyl-4-(4-Ethylpiperazin-1- Yl)phenyl]sulfonyl-N-[1-(Iminomethyl) cyclopropyl]- 1-[1-(Trifluoromethyl)cyclopropyl] carbonyl-Pyrrolidine-2-Carboxamide PDB code: 4bs6(A).
		6. Ligand: MG2 × 1 (2s,4r)-N-[1-(Iminomethyl)cyclopropyl]-4-[2- (Trifluoromethyl)phenyl]sulfonyl-Pyrrolidine- 2- Carboxamide PDB code: 4bs5(A).
		7. Ligand: QQV × 1 (1r,2r,4r)-N-(2-Azanylideneethyl)-2- Morpholin-4-Ylcarbonyl-4-(Phenylsulfonyl)cyclopentane- 1- Carboxamide PDB code: 4bsq(A).

Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: 8PW × 1 (2s,4r)-N-(1-Cyanocyclopropyl)-1-(1- Methylcyclopropanecarbonyl)-4-[4-(2,2,2- Trifluoroethoxy)-2- (Trifluoromethyl)phenyl] sulfonylpyrrolidine-2-Carboxamide PDB code: 4bqv(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 4bsq(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: OFH × 1 (4r)-4-[(2-Chloro-4-{[(2s)-1,1,1- Trifluoropropan-2-Yl]oxy}phenyl)sulfonyl]-N-{1-[(E)- Iminomethyl]cyclopropyl}-1-{[1-(Trifluoromethyl) cyclopropyl]carbonyl}-L-Prolinamide PDB code: 4bpv(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: 2EW × 1 (3s,4s)-N-[(2e)-2-Iminoethyl]-4-(Morpholin-4- Ylcarbonyl)-1-(Phenylsulfonyl)pyrrolidine-3- Carboxamide PDB code: 4mzo(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4bs6(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 4bsq(A).