Ligand clusters for UniProt code P43235

Ligand clusters for P43235: Cathepsin K from Homo sapiens

		Top 6 (of 34) ligand clusters Cluster 1. 56 ligand types 86 ligands Cluster 2. 10 ligand types 22 ligands Cluster 3. 8 ligand types 9 ligands Cluster 4. 5 ligand types 5 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5z5oA

Structures

PDB		Schematic diagram
5z5oA
1yk7A
1ayvA
6qbsA
2r6nA
		more ...

Cluster 1 contains 56 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5z5o(A).
		2. Ligand: SO4 × 21 Sulfate ion PDB codes: 1q6k(A), 1snk(A), 1tu6(A), 2ato(A), 2auz(A), 3kwz(A), 3kx1(A), 3o1g(A), 3ovz(A), 4x6h(A), 4x6i(A), 4yv8(A), 5j94(A), 5ja7(A), 5jh3(A), 5z5o(B).
		3. Ligand: E64 × 3 N-[N-[1-Hydroxycarboxyethyl-Carbonyl]leucylamino- Butyl]-Guanidine PDB codes: 1atk(A), 3c9e(A), 3h7d(A).
		4. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 5z5o(A),
		5. Ligand: FSP × 2 [1-(4-Fluorobenzyl)cyclobutyl]methyl (1s)-1-[Oxo(1h- Pyrazol-5-Ylamino)acetyl]pentylcarbamate PDB codes: 1tu6(A),
		6. Ligand: HFH × 2 ~{N}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{s},6~{a}~{s})-6- Fluoranyl-3-Oxidanyl-2,3,3~{a},5,6,6~{a}- Hexahydrofuro[3,2-B]pyrrol-4-Yl]-4-Methyl-1- Oxidanylidene-Pentan-2-Yl]-4-[2-(4-Methylpiperazin- 1- Yl)-1,3-Thiazol-4-Yl]benzamide PDB codes: 6qlm(A),
		7. Ligand: HVW × 2 (2~{s})-4-Methyl-~{N}-Prop-2-Enyl-2-[[(1~{s})-2,2,2- Tris(fluoranyl)-1-[4-(4- Methylsulfonylphenyl) phenyl]ethyl]amino]pentanamide PDB codes: 6qbs(A),
		8. Ligand: J6B × 2 ~{N}-[(2~{s})-1-[(3~{r},3~{a}~{r},6~{r},6~{a}~{r})-6- Azanyl-3-Oxidanyl-2,3,3~{a},5,6,6~{a}- Hexahydrofuro[3, 2-B]pyrrol-4-Yl]-4-Methyl-1-Oxidanylidene-Pentan-2- Yl]-3-Fluoranyl-4-[2-(4- Methylpiperazin-1-Yl)-1,3- Thiazol-4-Yl]benzamide PDB codes: 6qm0(A),
		9. Ligand: NO3 × 2 Nitrate ion PDB codes: 6ql8(A),
		10. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 5z5o(A),
		11. Ligand: 0D6 × 1 N-{(1r)-3-Phenyl-1-[2-(Phenylsulfonyl)ethyl]propyl}- N~2~-(Piperazin-1-Ylcarbonyl)-L-Leucinamide PDB code: 1mem(A).
		12. Ligand: 0LB × 1 (1r,2r)-N-(1-Cyanocyclopropyl)-2-{[4-(4-Fluorophenyl) piperazin-1- Yl]carbonyl}cyclohexanecarboxamide PDB code: 4dmx(A).
		13. Ligand: 0LC × 1 (1r,2r)-N-(1-Cyanocyclopropyl)-2-[(8-Fluoro-1,3,4,5- Tetrahydro-2h-Pyrido[4,3-B]indol-2- Yl) carbonyl]cyclohexanecarboxamide PDB code: 4dmy(A).
		14. Ligand: 1XF × 1 2-{[(Carbamoylsulfanyl)acetyl]amino}benzoic acid PDB code: 6ash(A).
		15. Ligand: 2CA × 1 Benzofuran-2-Carboxylic acid {(s)-3-Methyl-1-[3-Oxo-1- (Pyridin-2-Ylsulfonyl)azepan-4- Ylcarbamoyl]butyl}amide PDB code: 1nlj(A).
		16. Ligand: 3FC × 1 (1r)-2,2-Dimethyl-1-({5-[4-(Trifluoromethyl)phenyl]-1, 3,4-Oxadiazol-2-Yl}methyl)propyl (1s)-1- {Oxo[(2-Oxo-1, 3-Oxazolidin-3-Yl)amino]acetyl}pentylcarbamate PDB code: 1yt7(A).
		17. Ligand: 3XT × 1 4-Amino-3-Fluoro-N-(1-{[(2z)-2- Iminoethyl]carbamoyl}cyclohexyl)benzamide PDB code: 4x6h(A).
		18. Ligand: 3Y1 × 1 2-Amino-4-Bromo-N-{1-[(Cyanomethyl) carbamoyl]cyclohexyl}benzamide PDB code: 4x6i(A).
		19. Ligand: 3Y2 × 1 2-Amino-4-Chloro-N-(1-{[(2e)-2- Iminoethyl]carbamoyl}cyclohexyl)benzamide PDB code: 4x6j(A).
		20. Ligand: 750 × 1 5-(2-Morpholin-4-Ylethoxy)benzofuran-2-Carboxylic acid ((s)-3-Methyl-1-{(S)-3-Oxo-1-[2-(3-Pyridin- 2- Ylphenyl)acetyl]azepan-4-Ylcarbamoyl}butyl)amide PDB code: 1nl6(A).
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Cluster 2 contains 10 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4dmx(A).
		2. Ligand: SO4 × 11 Sulfate ion PDB codes: 1snk(A), 1yt7(A), 2auz(A), 3kwz(A), 3ovz(A), 4dmy(A), 4x6h(A), 4x6i(A), 4yv8(A).
		3. Ligand: 1XF × 2 2-{[(Carbamoylsulfanyl)acetyl]amino}benzoic acid PDB codes: 5j94(A), 6ash(A).
		4. Ligand: NO3 × 2 Nitrate ion PDB codes: 6ql8(A),
		5. Ligand: 6HM × 1 [([1,1'-Biphenyl]-2-Yl)methyl]propanedioic acid PDB code: 5ja7(A).
		6. Ligand: ACT × 1 Acetate ion PDB code: 5jh3(A).
		7. Ligand: ASG-IDR-ASG-IDR-ASG-IDR × 1 ASG=2-Acetamido-2-Deoxy-4-O-Sulfo-Beta-D-Galactopyranose, IDR=Alpha-L-Idopyranuronic acid. PDB code: 4n79(A).
		8. Ligand: BDP-ASG-BDP-ASG-BDP-ASG × 1 BDP=Beta-D-Glucopyranuronic acid, ASG=2-Acetamido-2-Deoxy-4-O-Sulfo-Beta-D-Galactopyranose. PDB code: 4n8w(A).
		9. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5z5o(A).
_Cl		10. Metal: _CL × 1 PDB code: 6qbs(A).

Cluster 3 contains 8 ligand types

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Ligand		Description
		1. Ligand: BDP-ASG-BDP-ASG-BDP-ASG × 2 BDP=Beta-D-Glucopyranuronic acid, ASG=2-Acetamido-2-Deoxy-4-O-Sulfo-Beta-D-Galactopyranose. PDB codes: 3c9e(A), 3h7d(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 5z5o(A).
		3. Ligand: J0V × 1 1,6,6-Trimethyl-10,11-Dioxo-6,7,8,9,10,11- Hexahydrophenanthro[1,2-B]furan-2-Sulfonic acid PDB code: 6pxf(A).
		4. Ligand: MHA × 1 (Carbamoylmethyl-Carboxymethyl-Amino)-Acetic acid PDB code: 6qm0(A).
		5. Ligand: NO3 × 1 Nitrate ion PDB code: 6ql8(A).
		6. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5z5o(A).
		7. Ligand: PGO × 1 S-1,2-Propanediol PDB code: 4x6j(A).
		8. Ligand: SO4 × 1 Sulfate ion PDB code: 4x6h(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 4x6j(A).
		2. Ligand: 1XF × 1 2-{[(Carbamoylsulfanyl)acetyl]amino}benzoic acid PDB code: 6ash(A).
		3. Ligand: NO3 × 1 Nitrate ion PDB code: 6ql8(A).
		4. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 5z5o(A).
_Cl		5. Metal: _CL × 1 PDB code: 4x6j(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: J0V × 1 1,6,6-Trimethyl-10,11-Dioxo-6,7,8,9,10,11- Hexahydrophenanthro[1,2-B]furan-2-Sulfonic acid PDB code: 6pxf(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: J0V × 1 1,6,6-Trimethyl-10,11-Dioxo-6,7,8,9,10,11- Hexahydrophenanthro[1,2-B]furan-2-Sulfonic acid PDB code: 6pxf(A).