Ligand clusters for UniProt code Q6PL18

Ligand clusters for Q6PL18: ATPase family AAA domain-containing protein 2 from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 74 ligand types 110 ligands Cluster 2. 20 ligand types 144 ligands Cluster 3. 7 ligand types 13 ligands Cluster 4. 3 ligand types 3 ligands Cluster 5. 4 ligand types 74 ligands Cluster 6. 2 ligand types 3 ligands
Representative protein: 6cpsA

Structures

PDB		Schematic diagram
6cpsA
5r4yA
5r4wA
5qxrA
4qssA
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Cluster 1 contains 74 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 4qsq(A).
		2. Ligand: EDO × 24 1,2-Ethanediol PDB codes: 4qsp(A), 4qsq(A), 4qst(A), 4qsu(A), 4qut(A), 4quu(A), 5a82(A), 5lj0(A), 5qxk(A), 5qxm(A), 5qxo(A), 5qxp(A), 5qxu(A), 5qxz(A),
		3. Ligand: SO4 × 12 Sulfate ion PDB codes: 4tt4(A), 4tz8(A), 5a5n(A), 5a5q(A), 5a5r(A), 5a81(A), 6hdn(A), 6hi5(A), 6hi6(A), 6s55(A), 6s56(A), 6s57(A).
		4. Ligand: 5QW × 2 ~{N}-[(2~{s})-2-Morpholin-4-Ylpropyl]-4-Oxidanylidene- 3,5-Dihydro-2~{h}-1,5-Benzothiazepine-7- Carboxamide PDB codes: 5epb(A),
		5. Ligand: G7H × 2 (2~{r})-~{N}-[4-Ethanoyl-5-[4-(2- Oxidanylidenepyrrolidin-1-Yl)phenyl]-1,3-Thiazol-2- Yl]piperazine-2-Carboxamide PDB codes: 6hic(A),
		6. Ligand: 12Q × 1 1-Methylquinolin-2(1h)-One PDB code: 4qst(A).
		7. Ligand: 36Z × 1 Methyl 3-Amino-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)benzoate PDB code: 4tte(A).
		8. Ligand: 37N × 1 3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(Phenylsulfonyl) amino]benzoic acid PDB code: 4tu4(A).
		9. Ligand: 38S × 1 1-[(2r,5s)-5-(Hydroxymethyl)tetrahydrofuran-2-Yl]-5- Methylpyrimidine-2,4(1h,3h)-Dione PDB code: 4qsx(A).
		10. Ligand: 38T × 1 5-Methyluridine PDB code: 4qsw(A).
		11. Ligand: 39O × 1 5-Amino-1,3,6-Trimethyl-1,3-Dihydro-2h-Benzimidazol-2- One PDB code: 4tyl(A).
		12. Ligand: 39R × 1 3-(5-Phenyl-4h-1,2,4-Triazol-3-Yl)aniline PDB code: 4tz2(A).
		13. Ligand: 39U × 1 2-Amino-7,7-Dimethyl-5,6,7,8-Tetrahydro-4h-[1, 3]thiazolo[5,4-C]azepin-4-One PDB code: 4tz8(A).
		14. Ligand: 5U9 × 1 ~{N}-(4-Ethanoyl-1,3-Thiazol-2-Yl)azetidin-1-Ium-3- Carboxamide PDB code: 5f3a(A).
		15. Ligand: 5UE × 1 [(2~{r})-1-[(4-Ethanoyl-1,3-Thiazol-2-Yl)amino]-1- Oxidanylidene-Propan-2-Yl]azanium PDB code: 5f36(A).
		16. Ligand: 6XC × 1 3-Methyl-8-[(Piperidin-4-Yl)amino]-1,2- Dihydro-1,7-Naphthyridin-2-One PDB code: 5a5q(A).
		17. Ligand: 6XX × 1 8-(((3r,4r,5s)-3-((4,4-Difluorocyclohexyl)methoxy)-5- Methoxypiperidin-4-Yl)amino)-3-Methyl-5-(5- Methylpyridin-3-Yl)-1,7-Naphthyridin-2(1h)-One PDB code: 5lj0(A).
		18. Ligand: 78J × 1 (3r,4r)-3-(Cyclohexylmethoxy)piperidin-4-Yl] amino}-3-Methyl-1,2-Dihydro-1,7-Naphthyridin- 2-One PDB code: 5a81(A).
		19. Ligand: 8WS × 1 (2s)-2,6-Diacetamido-N-Methyl-Hexanamide PDB code: 5a5n(A).
		20. Ligand: ALY × 1 N(6)-Acetyllysine PDB code: 4qsp(A).
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Cluster 2 contains 20 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 4qsr(A), 4qss(A), 4tt6(A), 4tte(A), 4tu4(A),
		2. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4qsq(A), 4tu4(A).
		3. Ligand: TRS × 1 tromethamine 2-Amino-2-Hydroxymethyl-Propane-1,3-Diol PDB code: 4tz2(A).
		4. Ligand: EDO × 115 1,2-Ethanediol PDB codes: 4qsp(A), 4qsq(A), 4qst(A), 4qsu(A), 4qsv(A), 4qsw(A), 4qsx(A), 4qut(A), 4quu(A), 5a5n(A), 5a5o(A), 5a5p(A), 5a5q(A), 5a5r(A), 5a81(A), 5a82(A), 5a83(A), 5lj0(A), 5qxi(A), 5qxj(A), 5qxk(A), 5qxl(A), 5qxm(A), 5qxn(A), 5qxo(A), 5qxp(A), 5qxq(A), 5qxr(A), 5qxs(A), 5qxt(A), 5qxu(A), 5qxv(A), 5qxw(A), 5qxx(A), 5qxy(A), 5qxz(A), 5qy0(A), 5r4f(A), 5r4v(A), 5r4w(A), 5r4x(A), 5r4y(A), 5r4z(A), 6hdn(A), 6hdo(A), 6s55(A), 6s56(A), 6s57(A).
		5. Ligand: MPD × 4 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 4qsr(A), 4qss(A),
_Cl		6. Metal: _CL × 2 PDB codes: 4tt4(A), 4tz2(A).
		7. Ligand: BOH × 1 (2~{r})-2-Azanyl-~{N}-[4-Ethanoyl-5-(3-Hydroxyphenyl)- 1,3-Thiazol-2-Yl]propanamide PDB code: 6epj(A).
		8. Ligand: BQQ × 1 (2~{s})-~{N}-[5-(5-Azanylpyridin-3-Yl)-4-Ethanoyl-1,3- Thiazol-2-Yl]piperazine-2-Carboxamide PDB code: 6ept(A).
		9. Ligand: BQW × 1 (2~{r})-2-Carbamimidamido-~{N}-(4-Ethanoyl-1,3- Thiazolidin-2-Yl)propanamide PDB code: 6epx(A).
		10. Ligand: G7E × 1 ~{N}-[4-Ethanoyl-5-(4-Morpholin-4-Ylcarbonylphenyl)-1, 3-Thiazol-2-Yl]piperazine-2-Carboxamide PDB code: 6hid(A).
		11. Ligand: JMM × 1 [4-(Cyclopropanecarbonyl)piperazin-1-Yl](furan-2-Yl) methanone PDB code: 5r4v(A).
		12. Ligand: RGV × 1 (3as,8s,9as)-10-Methyl-4-Oxo-1,4,6,8,9,9a-Hexahydro-3a, 8-Epiminocyclohepta[1,2-C:4,5-C']Dipyrrole- 2(3h)- Carbaldehyde PDB code: 5qxj(A).
		13. Ligand: RGY × 1 (4r,4as,7as,9s)-3,10-Dimethyl-5,6,7,7a,8,9-Hexahydro- 4h-4a,9- Epiminopyrrolo[3',4':5,6]cyclohepta[1,2-D][1, 2]oxazol-4-Ol PDB code: 5qxi(A).
		14. Ligand: RHG × 1 (3ar,8s,9as)-2-[(Trifluoromethyl)sulfonyl]decahydro-3a, 8-Epoxypyrrolo[3,4-C]azocine PDB code: 5qxn(A).
		15. Ligand: RHV × 1 Ethyl n-[(2r)-2-(4-Methylpyridin-2-Yl) propanoyl]glycinate PDB code: 5qxq(A).
		16. Ligand: RJ4 × 1 (4ar,7ar,9r)-3,4,7,7a,8,9-Hexahydro-4a,9- Epoxypyrrolo[3',4':4,5]cyclohepta[1,2-D]imidazole- 6(5h)-Carbaldehyde PDB code: 5qxs(A).
		17. Ligand: RJG × 1 (3ar,10r,10ar,11ar)-1,2,3,5,10,10a,11,11a-Octahydro-3a, 10-Ethanopyrrolo[3',4':4,5]pyrrolo[1,2- B]isoquinolin- 13-One PDB code: 5qxv(A).
		18. Ligand: RK1 × 1 (7r)-N-Benzyl-1,7-Diethyl-2,3,6,7-Tetrahydro-1h-1,4- Diazepine-7-Carboxamide PDB code: 5qxx(A).
		19. Ligand: RKJ × 1 (4r,4as,7as,9s)-6-Ethyl-3,10-Dimethyl-5,6,7,7a,8,9- Hexahydro-4h-4a,9- Epiminopyrrolo[3',4':5, 6]cyclohepta[1,2-D][1,2]oxazol-4-Ol PDB code: 5qy0(A).
		20. Ligand: RQP × 1 (5r)-5-[(4-Fluorophenyl)methyl]-5-(2-Hydroxyethyl)-3- (2-Methoxyethyl)imidazolidine-2,4-Dione PDB code: 5r4e(A).
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Cluster 3 contains 7 ligand types

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Ligand		Description
		1. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 4qsq(A), 4qst(A), 5qxt(A), 5qxw(A), 5qxy(A).
		2. Ligand: G5Z × 1 (2~{r})-2-Azanyl-~{N}-(4-Ethanoyl-5-Pyridin-3-Yl-1,3- Thiazol-2-Yl)propanamide PDB code: 6hi6(A).
		3. Ligand: G6E × 1 (2~{r})-2-Azanyl-~{N}-[5-(5-Azanylpyridin-3-Yl)-4- Ethanoyl-1,3-Thiazol-2-Yl]propanamide PDB code: 6hi5(A).
		4. Ligand: RHG × 1 (3ar,8s,9as)-2-[(Trifluoromethyl)sulfonyl]decahydro-3a, 8-Epoxypyrrolo[3,4-C]azocine PDB code: 5qxn(A).
		5. Ligand: RJ7 × 1 Ethyl (2s,3s)-2-Fluoro-3-Hydroxy-3-(Pyridin-3-Yl) propanoate PDB code: 5qxt(A).
		6. Ligand: RJJ × 1 (5r)-N-Benzyl-5-Ethyl-1-Methyl-1,4-Diazepane-5- Carboxamide PDB code: 5qxw(A).
		7. Ligand: RK7 × 1 Ethyl (2r,3s)-3-(5-Bromopyridin-2-Yl)-2-Fluoro-3- Hydroxypropanoate PDB code: 5qxy(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: ALY × 1 N(6)-Acetyllysine PDB code: 4tt4(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 4qsw(A).
		3. Ligand: SER-THR-GLY-GLY × 1 PDB code: 4tt4(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 38 1,2-Ethanediol PDB codes: 4qsp(A), 4qsq(A), 4qst(A), 4qsv(A), 4qsw(A), 4qsx(A), 4qut(A), 4quu(A), 5qxi(A), 5qxj(A), 5qxk(A), 5qxl(A), 5qxm(A), 5qxn(A), 5qxo(A), 5qxp(A), 5qxq(A), 5qxr(A), 5qxs(A), 5qxu(A), 5qxv(A), 5qxw(A), 5qxx(A), 5qxy(A), 5qxz(A), 5qy0(A), 5r4e(A), 5r4f(A), 5r4v(A), 5r4w(A), 5r4x(A), 5r4y(A), 5r4z(A).
		2. Ligand: SO4 × 34 Sulfate ion PDB codes: 4qsp(A), 4qss(A), 4qst(A), 4qsu(A), 5a5r(A), 5a83(A), 5qxi(A), 5qxj(A), 5qxk(A), 5qxl(A), 5qxm(A), 5qxn(A), 5qxo(A), 5qxp(A), 5qxq(A), 5qxr(A), 5qxs(A), 5qxt(A), 5qxu(A), 5qxv(A), 5qxw(A), 5qxx(A), 5qxy(A), 5qxz(A), 5qy0(A), 5r4e(A), 5r4f(A), 5r4v(A), 5r4w(A), 5r4x(A), 5r4y(A), 5r4z(A), 6hdn(A), 6hdo(A).
		3. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 4qss(A).
		4. Ligand: RJ7 × 1 Ethyl (2s,3s)-2-Fluoro-3-Hydroxy-3-(Pyridin-3-Yl) propanoate PDB code: 5qxt(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 5a5o(A), 5a83(A).
		2. Ligand: BQ8 × 1 (2~{r})-~{N}-[5-[3,5-Bis(oxidanyl)phenyl]-4-Ethanoyl-1, 3-Thiazol-2-Yl]-2-Carbamimidamido- Propanamide PDB code: 6epw(A).