Ligand clusters for UniProt code Q16539

Ligand clusters for Q16539: Mitogen-activated protein kinase 14 from Homo sapiens

		Top 6 (of 18) ligand clusters Cluster 1. 202 ligand types 246 ligands Cluster 2. 24 ligand types 133 ligands Cluster 3. 5 ligand types 12 ligands Cluster 4. 5 ligand types 13 ligands Cluster 5. 4 ligand types 14 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 3itzA

Structures

PDB		Schematic diagram
3itzA
3gfeA
1w82A
1w83A
1w7hA
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Cluster 1 contains 202 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 8 glycerin Glycerol PDB codes: 1wbv(A), 2i0h(A), 3e92(A), 3e93(A), 3hv3(A), 3iph(A), 3mpt(A).
		2. Ligand: BAX × 2 sorafenib 4-{4-[({[4-Chloro-3-(Trifluoromethyl) phenyl]amino}carbonyl)amino]phenoxy}-N-Methylpyridine- 2- Carboxamide PDB codes: 3gcs(A), 3heg(A).
		3. Ligand: 1N1 × 1 dasatinib N-(2-Chloro-6-Methylphenyl)-2-({6-[4-(2-Hydroxyethyl) piperazin-1-Yl]-2-Methylpyrimidin-4- Yl}amino)-1,3- Thiazole-5-Carboxamide PDB code: 3lfa(A).
		4. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 1wbv(A).
		5. Ligand: STI × 1 imatinib 4-(4-Methyl-Piperazin-1-Ylmethyl)-N-[4-Methyl-3-(4- Pyridin-3-Yl-Pyrimidin-2-Ylamino)-Phenyl]- Benzamide PDB code: 3hec(A).
_Mg		6. Metal: _MG × 1 PDB code: 1r3c(A).
		7. Ligand: ACT × 1 Acetate ion PDB code: 2zaz(A).
		8. Ligand: BOG × 1 Octyl beta-D-Glucopyranoside PDB code: 2fst(X).
		9. Ligand: SB5 × 1 4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4- Pyrimidinyl)imidazole PDB code: 1bmk(A).
		10. Ligand: SB6 × 1 4-(4-Fluorophenyl)-1-Cycloropropylmethyl-5-(4- Pyridyl)-Imidazole PDB code: 1bl6(A).
		11. Ligand: 279 × 1 N-Ethyl-4-{[5-(Methoxycarbamoyl)-2- Methylphenyl]amino}-5-Methylpyrrolo[2,1-F][1,2, 4]triazine-6- Carboxamide PDB code: 2rg5(A).
		12. Ligand: BI5 × 1 4-Phenoxy-N-(Pyridin-2-Ylmethyl)benzamide PDB code: 1zyj(A).
		13. Ligand: SB4 × 1 4-(4-Fluorophenyl)-1-(4-Piperidinyl)-5-(2-Amino-4- Pyrimidinyl)-Imidazole PDB code: 1bl7(A).
		14. Ligand: WBT × 1 3-Fluoro-5-Morpholin-4-Yl-N-[1-(2-Pyridin-4-Ylethyl)- 1h-Indol-6-Yl]benzamide PDB code: 1wbt(A).
		15. Ligand: 287 × 1 4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5- Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1- F][1,2, 4]triazine-6-Carboxamide PDB code: 2rg6(A).
		16. Ligand: 3IP × 1 3-(Benzyloxy)pyridin-2-Amine PDB code: 1w7h(A).
		17. Ligand: DQO × 1 1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7- Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One PDB code: 1m7q(A).
		18. Ligand: GK4 × 1 N-(Cyclopropylmethyl)-2'-Methyl-5'-(5-Methyl-1,3,4- Oxadiazol-2-Yl)biphenyl-4-Carboxamide PDB code: 2zb1(A).
		19. Ligand: LI3 × 1 3-Fluoro-N-1h-Indol-5-Yl-5-Morpholin-4- Ylbenzamide PDB code: 1wbv(A).
		20. Ligand: 6NP × 1 6((s)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4- (Pyridin-4-Yl)pyrazine PDB code: 1yqj(A).
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Cluster 2 contains 24 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 1wbv(A), 3mpt(A).
		2. Ligand: BOG × 7 Octyl beta-D-Glucopyranoside PDB codes: 1zyj(A), 1zz2(A), 2fsl(X), 2fsm(X), 2fso(X), 2fst(X),
		3. Ligand: 287 × 1 4-{[5-(Methoxycarbamoyl)-2-Methylphenyl]amino}-5- Methyl-N-[(1s)-1-Phenylethyl]pyrrolo[2,1- F][1,2, 4]triazine-6-Carboxamide PDB code: 2rg6(A).
		4. Ligand: D13 × 1 4-[5-(3-Iodo-Phenyl)-2-(4-Methanesulfinyl-Phenyl)-1h- Imidazol-4-Yl]-Pyridine PDB code: 1ian(A).
		5. Ligand: BOG × 76 Octyl beta-D-Glucopyranoside PDB codes: 2npq(A), 3gcp(A), 3gcq(A), 3gcs(A), 3gcu(A), 3gcv(A), 3hec(A), 3hub(A), 3huc(A), 3hv3(A), 3hv4(A), 3hv5(A), 3hv6(A), 3hv7(A), 3iw5(A), 3iw6(A), 3iw7(A), 3iw8(A), 3l8s(A), 3lfa(A), 3lfb(A), 3lfc(A), 3lfd(A), 3lfe(A), 3lff(A), 3mgy(A), 3mh0(A), 3mh1(A), 3mh2(A), 3mh3(A), 3mpa(A), 3o8p(A), 3o8t(A), 3o8u(A), 3obj(A), 3od6(X), 3ody(X), 3odz(X), 3oef(X), 3pg3(A), 3qud(A), 3que(A), 3uvp(A), 3uvq(A), 3uvr(A), 3zs5(A), 3zsg(A), 3zsh(A), 3zsi(A), 4geo(A), 4l8m(A), 5ml5(A), 5mtx(A), 5mty(A), 5omg(A), 5tco(A), 6hwt(A), 6hwu(A), 6hwv(A), 6qyx(A).
		6. Ligand: IRG × 11 N~4~-Cyclopropyl-2-Phenylquinazoline-4,7-Diamine PDB codes: 4dli(A), 4eh2(A), 4eh3(A), 4eh4(A), 4eh5(A), 4eh6(A), 4eh7(A), 4eh8(A), 4eh9(A), 4ehv(A).
		7. Ligand: I46 × 10 2-Fluoro-4-[4-(4-Fluorophenyl)-1h-Pyrazol-3- Yl]pyridine PDB codes: 2yis(A), 2yiw(A), 3hl7(A), 3hll(A), 3hp2(A), 3hp5(A), 3k3i(A), 3k3j(A), 6qdz(A), 6qe1(A).
		8. Ligand: GG5 × 9 4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridine PDB codes: 3hvc(A), 4ewq(A), 4f9w(A), 4f9y(A), 4fa2(A), 4r3c(A), 4zth(A).
		9. Ligand: 0O8 × 1 (1,1-Dimethylpiperidin-1-Ium-4-Yl) octadecyl hydrogen phosphate PDB code: 4e6c(A).
		10. Ligand: 0O9 × 1 (2s)-2-Methoxy-3-(Octadecyloxy)propyl (1r,2r,3r,4s,6s)- 2,3,4-Trihydroxy-6-(2- Methylpropoxy)cyclohexyl hydrogen (s)-Phosphate PDB code: 4e6a(A).
		11. Ligand: 0OA × 1 (1r,2s,3r,4s,6s)-6-(Cyclohexylmethoxy)-2,3,4- Trihydroxycyclohexyl (2r)-2-Methoxy-3- (Octadecyloxy) propyl hydrogen (s)-Phosphate PDB code: 4e8a(A).
		12. Ligand: 0SJ × 1 (1r,5s)-3-(4-Chlorobenzoyl)-1,2,3,4,5,6-Hexahydro-8h-1, 5-Methanopyrido[1,2-A][1,5]diazocin-8-One PDB code: 4ehv(A).
		13. Ligand: 29B × 1 4-[4-(4-Fluorophenyl)-1h-Pyrazol-3-Yl]pyridine PDB code: 3roc(A).
		14. Ligand: 3NE × 1 4-(Trifluoromethyl)-3-[3-(Trifluoromethyl)phenyl]-1,7- Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One PDB code: 3new(A).
		15. Ligand: 6RG × 1 2-Phenyl-N~4~-(2-Phenylethyl)quinazoline-4,7-Diamine PDB code: 4dlj(A).
		16. Ligand: 8OH × 1 2-Phenyl-~{N}4-(Thiophen-2-Ylmethyl)quinazoline-4,7- Diamine PDB code: 5n64(A).
		17. Ligand: 8OK × 1 2-(4-Morpholin-4-Ylphenyl)-~{N}4-(2-Phenylethyl) quinazoline-4,7-Diamine PDB code: 5n68(A).
		18. Ligand: 8ON × 1 1-[4-[4-[7-Azanyl-4-(2-Phenylethylamino)quinazolin-2- Yl]phenyl]piperazin-1-Yl]ethanone PDB code: 5n67(A).
		19. Ligand: 8OT × 1 2-Phenyl-~{N}4-(2-Thiophen-2-Ylethyl)quinazoline-4,7- Diamine PDB code: 5n65(A).
		20. Ligand: 8OW × 1 ~{N}4-[(4-Fluorophenyl)methyl]-2-Phenyl-Quinazoline-4, 7-Diamine PDB code: 5n63(A).
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Cluster 3 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 3iph(A), 4f9w(A).
		2. Ligand: BOG × 5 Octyl beta-D-Glucopyranoside PDB codes: 3hv4(A), 3hv5(A), 6hwt(A), 6hwu(A), 6hwv(A).
		3. Ligand: I46 × 3 2-Fluoro-4-[4-(4-Fluorophenyl)-1h-Pyrazol-3-Yl]pyridine PDB codes: 3hp2(A), 3hp5(A), 3k3i(A).
		4. Ligand: 3GF × 1 6-(4-Methylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4- (Pyridin-4-Yl)pyridazine PDB code: 4r3c(A).
		5. Ligand: MWL × 1 3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl) piperazin-1-Yl]pyridazine PDB code: 4ewq(A).

Cluster 4 contains 5 ligand types

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Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 1wbs(A), 2zaz(A), 2zb1(A), 3d7z(A), 3e92(A), 3mpt(A).
		2. Ligand: MES × 4 2-(N-Morpholino)-Ethanesulfonic acid PDB codes: 3gcu(A), 3huc(A), 3hv4(A), 3hv5(A).
		3. Ligand: ACT × 1 Acetate ion PDB code: 3kq7(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3zs5(A).
		5. Ligand: EPE × 1 4-(2-Hydroxyethyl)-1-Piperazine ethanesulfonic acid PDB code: 6qyx(A).

Cluster 5 contains 4 ligand types

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Ligand		Description
		1. Ligand: GOL × 7 glycerin Glycerol PDB codes: 1ove(A), 2i0h(A), 2zb0(A), 3d83(A), 3e92(A), 3e93(A), 3iph(A).
		2. Ligand: SO4 × 5 Sulfate ion PDB codes: 1m7q(A), 1ouk(A), 1r39(A), 1yqj(A), 5etc(A).
		3. Ligand: BME × 1 Beta-Mercaptoethanol PDB code: 4f9y(A).
		4. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6sfk(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6sfk(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 4ewq(A).