Ligand clusters for UniProt code Q14680

Ligand clusters for Q14680: Maternal embryonic leucine zipper kinase OS=Homo sapiens GN=MELK PE=1 SV=3

		Top 6 (of 9) ligand clusters Cluster 1. 28 ligand types 42 ligands Cluster 2. 2 ligand types 4 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: 4d2tB

Structures

PDB		Schematic diagram
4d2tB
4umpD
4d2vD
5mafA
4d2pD
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Cluster 1 contains 28 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: XIN × 1 nintedanib Methyl (3z)-3-{[(4-{Methyl[(4-Methylpiperazin-1-Yl) acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-Oxo- 2,3-Dihydro-1h-Indole-6-Carboxylate PDB code: 5maf(A).
		2. Ligand: 45R × 5 7-{[2-Methoxy-4-(1h-Pyrazol-4-Yl)benzoyl]amino}-2,3,4, 5-Tetrahydro-1h-3-Benzazepinium PDB codes: 4d2v(A), 5twz(A).
		3. Ligand: 6Z7 × 4 7-({4-[(3-Hydroxy-5-Methoxyphenyl)amino]benzoyl}amino)- 1,2,3,4-Tetrahydroisoquinolinium PDB codes: 4d2p(A),
		4. Ligand: TAK × 4 6-[4-(2-Piperidin-1-Ylethoxy)phenyl]-3-Pyridin-4- Ylpyrazolo[1,5-A]pyrimidine PDB codes: 6gvx(A),
		5. Ligand: 3I7 × 3 3-[2-(Phenylcarbamoyl)-5-(1h-Pyrazol-4-Yl) phenoxy]propan-1-Aminium PDB codes: 4d2t(A),
		6. Ligand: 5QM × 2 3-(Isoquinolin-7-Yl)prop-2-Yn-1-Ol PDB codes: 4ump(A),
		7. Ligand: 7MY × 2 7-[(1s)-4-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5- Dimethyl-2-({3-[(Pyrrolidin-1- Yl)methyl]phenyl}amino)- 5,7-Dihydro-6h-Pyrrolo[2,3-D]pyrimidin-6-One PDB codes: 5tx3(A),
		8. Ligand: 0V0 × 1 (2-Ethoxy-4-{[3-(Isoquinolin-7-Yl)prop-2-Yn- 1-Yl]oxy}phenyl)methanaminium PDB code: 4umu(A).
		9. Ligand: 1WS × 1 N-(3-Aminopropyl)-8-[(3-Fluorophenyl)amino]-2,4,5,7- Tetrahydropyrazolo[3,4-E]indazole-3- Carboxamide PDB code: 4bkz(A).
		10. Ligand: 47W × 1 1-(4-{[3-(Isoquinolin-7-Yl)prop-2-Yn-1-Yl] oxy}-2-Methoxybenzyl)piperazinediium PDB code: 4umt(A).
		11. Ligand: 5U5 × 1 3-[(3~{z})-3-[[[4-[(Dimethylamino)methyl]phenyl]amino]- Phenyl-Methylidene]-2-Oxidanylidene-1~{h}- Indol-6-Yl]- ~{N}-Ethyl-Prop-2-Ynamide PDB code: 5mai(A).
		12. Ligand: 6BB × 1 4-[1-(2-Fluorophenyl)-1h-Pyrazol-4-Yl]-3-[(Piperidin-4- Yl)methoxy]pyridine PDB code: 5ihc(A).
		13. Ligand: 6BE × 1 1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h- Pyrazol-1-Yl}phenyl)piperazine PDB code: 5iha(A).
		14. Ligand: 6BF × 1 1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4- Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine PDB code: 5ih9(A).
		15. Ligand: 6BJ × 1 N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h- Pyrazol-1-Yl]benzamide PDB code: 5ih8(A).
		16. Ligand: 6PV × 1 4-{2-[(3-Methoxyphenyl)amino]-4-[(Piperidin-4-Yl) methoxy]pyrimidin-5-Yl}-N-[2-Oxo-2- (Phenylamino) ethyl]benzamide PDB code: 5k00(A).
		17. Ligand: 7KC × 1 ~{N}-[(1~{s})-2-(Dimethylamino)-1-Phenyl-Ethyl]-6,6- Dimethyl-3-[(2-Methylthieno[3,2-D]pyrimidin-4- Yl) amino]-1,4-Dihydropyrrolo[3,4-C]pyrazole-5-Carboxamide PDB code: 5mag(A).
		18. Ligand: 7KD × 1 ~{N}-Methyl-4-[[4-[[3-[Methyl(methylsulfonyl) amino]pyrazin-2-Yl]methylamino]-5- (Trifluoromethyl) pyrimidin-2-Yl]amino]benzamide PDB code: 5mah(A).
		19. Ligand: 7LV × 1 9-(3,5-Dichloro-4-Hydroxyphenyl)-1-{Trans-4- [(Dimethylamino)methyl]cyclohexyl}-3-Methyl-3,4- Dihydropyrimido[5,4-C][1,5]naphthyridin-2(1h)-One PDB code: 5tvt(A).
		20. Ligand: 7LY × 1 2-(Benzyloxy)-4-(1h-Pyrazol-4-Yl)-N-(2,3,4,5- Tetrahydro-1h-3-Benzazepin-7-Yl)benzamide PDB code: 5twy(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 4umt(A), 5maf(A), 5mag(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 5mah(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5mag(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5mai(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6gvx(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6gvx(B).