Ligand clusters for UniProt code Q04771

Ligand clusters for Q04771: Activin receptor type-1 from Homo sapiens

		Top 6 (of 43) ligand clusters Cluster 1. 30 ligand types 66 ligands Cluster 2. 3 ligand types 3 ligands Cluster 3. 4 ligand types 6 ligands Cluster 4. 3 ligand types 6 ligands Cluster 5. 7 ligand types 41 ligands Cluster 6. 4 ligand types 5 ligands
Representative protein: 6i1sA

Structures

PDB		Schematic diagram
6i1sA
6eixA
6t8nA
4c02A
7nnsB
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Cluster 1 contains 30 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: 4dym(A),
		2. Ligand: SO4 × 17 Sulfate ion PDB codes: 3h9r(A), 4dym(A), 6acr(A), 6gi6(A), 6gin(A), 6gip(A), 6i1s(A), 6jux(A), 6srh(A), 6t6d(A), 6tn8(A), 6z36(A), 7c3g(A), 7nns(B).
		3. Ligand: EDO × 11 1,2-Ethanediol PDB codes: 3oom(A), 3q4u(A), 6eix(A), 6gi6(A), 6gip(A), 6i1s(A), 6srh(A), 7nns(B),
		4. Ligand: PO4 × 5 Phosphate ion PDB codes: 3mtf(A), 3oom(A), 6zgc(A),
		5. Ligand: 844 × 2 1-{4-[5-(3,4,5-Trimethoxyphenyl)pyridin-3-Yl] phenyl}piperazine PDB codes: 4bgg(A),
		6. Ligand: A3F × 2 3-[6-Amino-5-(3,4,5-Trimethoxyphenyl)pyridin-3- Yl]phenol PDB codes: 3mtf(A), 6eix(A).
		7. Ligand: FLC × 2 Citrate anion PDB codes: 4bgg(A), 4c02(A).
		8. Ligand: MM8 × 2 2-Methoxy-4-[4-Methyl-5-(4-Piperazin-1-Ylphenyl) pyridin-3-Yl]benzamide PDB codes: 6t6d(A),
		9. Ligand: TAK × 2 6-[4-(2-Piperidin-1-Ylethoxy)phenyl]-3-Pyridin-4- Ylpyrazolo[1,5-A]pyrimidine PDB codes: 3h9r(A), 4c02(A).
		10. Ligand: 507 × 1 1-{3-[6-(Tetrahydro-2h-Pyran-4-Ylamino)imidazo[1,2- B]pyridazin-3-Yl]phenyl}ethanone PDB code: 3oom(A).
		11. Ligand: 5U6 × 1 4-[4-[(Dimethylamino)methyl]-2,5-Dimethoxy-Phenyl]-2- Methyl-2,7-Naphthyridin-1-One PDB code: 6tn8(A).
		12. Ligand: 9TO × 1 N-(4-Methoxyphenyl)-4-[3-(Pyridin-3-Yl)-1h-Pyrazol-4- Yl]pyrimidin-2-Amine PDB code: 6acr(A).
		13. Ligand: B4B × 1 5-[6-(4-Piperazin-1-Ylphenyl)pyrazolo[1,5-A]pyrimidin- 3-Yl]quinoline PDB code: 5oxg(A).
		14. Ligand: B4E × 1 Cyclical inhibitor od36 PDB code: 5oy6(A).
		15. Ligand: C87 × 1 Momelotinib PDB code: 7nns(B).
		16. Ligand: C9U × 1 4-(1-Ethyl-3-Pyridin-3-Yl-Pyrazol-4-Yl)-~{N}-(4- Piperazin-1-Ylphenyl)pyrimidin-2-Amine PDB code: 6jux(A).
		17. Ligand: E26 × 1 (4~{s},5~{r},6~{z},9~{s},10~{s},12~{e})-16- (Ethylamino)-4,5-Dimethyl-9,10,18-Tris(oxidanyl)-3- Oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-Pentaene- 2,8-Dione PDB code: 6i1s(A).
		18. Ligand: EUN × 1 2,5-Dimethyl-6-Quinolin-4-Yl-3~{h}-Quinazolin-4-One PDB code: 6gip(A).
		19. Ligand: EZB × 1 5-Methyl-6-Quinolin-5-Yl-3~{h}-Quinazolin-4-One PDB code: 6gi6(A).
		20. Ligand: FH0 × 1 ~{N}-[4-(4-Methylpiperazin-1-Yl)phenyl]-4-(2-Pyridin-3- Yl-6,7-Dihydro-4~{h}-Pyrazolo[5,1- C][1,4]oxazin-3-Yl) pyrimidin-2-Amine PDB code: 7c3g(A).
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Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: B4B × 1 5-[6-(4-Piperazin-1-Ylphenyl)pyrazolo[1,5-A]pyrimidin- 3-Yl]quinoline PDB code: 5oxg(A).
		2. Ligand: H8H × 1 N-(5-Chloro-1,3-Benzodioxol-4-Yl)-7-[2-(4- Methylpiperazin-1-Yl)ethoxy]-5-(Tetrahydro-2h-Pyran-4- Yloxy)quinazolin-4-Amine PDB code: 6zgc(A).
		3. Ligand: MM8 × 1 2-Methoxy-4-[4-Methyl-5-(4-Piperazin-1-Ylphenyl) pyridin-3-Yl]benzamide PDB code: 6t6d(A).

Cluster 3 contains 4 ligand types

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Ligand		Description
		1. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 3mtf(A), 3oom(A), 3q4u(A).
		2. Ligand: LDN × 1 4-[6-(4-Piperazin-1-Ylphenyl)pyrazolo[1,5-A]pyrimidin- 3-Yl]quinoline PDB code: 3q4u(A).
		3. Ligand: MM8 × 1 2-Methoxy-4-[4-Methyl-5-(4-Piperazin-1-Ylphenyl) pyridin-3-Yl]benzamide PDB code: 6t6d(C).
		4. Ligand: TLA × 1 L(+)-Tartaric acid PDB code: 6srh(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 4c02(A), 6srh(A).
		2. Ligand: M2Z × 2 1-[4-[4-Methyl-5-(3,4,5-Trimethoxyphenyl)pyridin-3- Yl]phenyl]piperazine PDB codes: 6szm(A),
		3. Ligand: Q5Z × 2 4-Methyl-3-(4-Piperidin-4-Ylphenyl)-5-(3,4,5- Trimethoxyphenyl)pyridine PDB codes: 6z36(A),

Cluster 5 contains 7 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 7a21(A).
		2. Ligand: SO4 × 21 Sulfate ion PDB codes: 3h9r(A), 4dym(A), 6acr(A), 6gi6(A), 6gin(A), 6gip(A), 6i1s(A), 6jux(A), 6srh(A), 6szm(A), 6t6d(A), 6t8n(A), 6tn8(A), 6z36(A), 7c3g(A), 7nns(B).
		3. Ligand: EDO × 6 1,2-Ethanediol PDB codes: 3oom(A), 4bgg(A), 4c02(A), 6srh(A), 6szm(A).
		4. Ligand: FLC × 6 Citrate anion PDB codes: 3q4u(A), 4bgg(A), 4c02(A),
		5. Ligand: PO4 × 5 Phosphate ion PDB codes: 3mtf(A), 3oom(A), 6zgc(A),
		6. Ligand: PG4 × 1 Tetraethylene glycol PDB code: 3h9r(A).
		7. Ligand: TLA × 1 L(+)-Tartaric acid PDB code: 6t8n(A).

Cluster 6 contains 4 ligand types

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Ligand		Description
		1. Ligand: SO4 × 2 Sulfate ion PDB codes: 7c3g(A),
		2. Ligand: DIO × 1 1,4-Diethylene dioxide PDB code: 6tn8(A).
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 3mtf(A).
		4. Ligand: FLC × 1 Citrate anion PDB code: 4c02(A).