Ligand clusters for UniProt code P00746

Ligand clusters for P00746: Complement factor D from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 26 ligand types 29 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 10 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 5mt0A

Structures

PDB		Schematic diagram
5mt0A
6futA
1dfpA
5fckA
6fujA
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Cluster 1 contains 26 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: 2xw9(A),
		2. Ligand: SIN × 1 succinic acid Succinic acid PDB code: 6fut(A).
		3. Ligand: J55 × 2 1-(2-{(2s)-2-[(6-Bromopyridin-2-Yl)carbamoyl]-1,3- Thiazolidin-3-Yl}-2-Oxoethyl)-1h-Pyrazolo[3,4- B]pyridine-3-Carboxamide PDB codes: 5tca(A),
		4. Ligand: J56 × 2 (2s)-N-(6-Bromopyridin-2-Yl)-3-[(1h-Indazol-1-Yl) acetyl]-1,3-Thiazolidine-2-Carboxamide PDB codes: 5tcc(A),
		5. Ligand: 5W5 × 1 Methyl 2-[[[(2~{s})-2-[[3-(Trifluoromethyloxy) phenyl]carbamoyl]pyrrolidin-1- Yl]carbonylamino]methyl]benzoate PDB code: 5fbe(A).
		6. Ligand: 5WC × 1 1-[2-[(1~{r},3~{s},5~{r})-3-[[(1~{r})-1-(3-Chloranyl-2- Fluoranyl-Phenyl)ethyl]carbamoyl]-2- Azabicyclo[3.1.0]hexan-2-Yl]-2-Oxidanylidene- Ethyl]pyrazolo[3,4-C]pyridine-3-Carboxamide PDB code: 5fck(A).
		7. Ligand: 5WD × 1 3-[(2-Aminocarbonyl-1~{h}-Indol-5-Yl)oxymethyl]benzoic acid PDB code: 5fbi(A).
		8. Ligand: 8NQ × 1 1-[2-[(1~{r},3~{s},5~{r})-3-[(6-Bromanylpyridin-2-Yl) carbamoyl]-2-Azabicyclo[3.1.0]hexan-2-Yl]-2- Oxidanylidene-Ethyl]indazole-3-Carboxamide PDB code: 5nb7(A).
		9. Ligand: 8RT × 1 (2~{s})-~{N}1-(1-Methylindol-3-Yl)-~{N}2-[3- (Trifluoromethyloxy)phenyl]pyrrolidine-1,2- Dicarboxamide PDB code: 5nat(A).
		10. Ligand: 8RW × 1 (2~{s})-~{N}1-(1-Aminocarbonylindol-3-Yl)-~{N}2-[3- (Trifluoromethyloxy)phenyl]pyrrolidine-1,2- Dicarboxamide PDB code: 5nar(A).
		11. Ligand: 8RZ × 1 (1~{r},3~{s},5~{r})-~{N}2-(1-Aminocarbonylindol-3-Yl)- ~{N}3-[3-(Trifluoromethyloxy)phenyl]-2- Azabicyclo[3.1.0]hexane-2,3-Dicarboxamide PDB code: 5naw(A).
		12. Ligand: 8S2 × 1 (2~{s},4~{s})-~{N}1-(1-Aminocarbonylindol-3-Yl)-4- Azanyl-~{N}2-[3- (Trifluoromethyloxy) phenyl]pyrrolidine-1,2-Dicarboxamide PDB code: 5nb6(A).
		13. Ligand: 8S5 × 1 (2~{s},4~{r})-~{N}1-(1-Aminocarbonylindol-3-Yl)-4- Fluoranyl-~{N}2-[3- (Trifluoromethyloxy) phenyl]pyrrolidine-1,2-Dicarboxamide PDB code: 5nba(A).
		14. Ligand: DFP × 1 Diisopropyl phosphonate PDB code: 1dfp(A).
		15. Ligand: E7E × 1 ~{N}4-[3-(Aminomethyl)phenyl]-1~{h}-Indole-2,4- Dicarboxamide PDB code: 6ftz(A).
		16. Ligand: E7H × 1 4-[[(5~{s},7~{r})-3-Azanyl-1-Adamantyl]carbonylamino]- 1~{h}-Indole-2-Carboxamide PDB code: 6fty(A).
		17. Ligand: E7W × 1 (1~{r},2~{s})-2-[[4-[[3-(Aminomethyl) phenyl]amino]quinazolin-2-Yl]amino]cyclohexane-1- Carboxylic acid PDB code: 6fui(A).
		18. Ligand: E82 × 1 3-[3-(Aminomethyl)phenyl]-~{N}-[(1~{s})-1,2,3,4- Tetrahydronaphthalen-1-Yl]benzamide PDB code: 6fut(A).
		19. Ligand: E85 × 1 3-[[3-[[3-(Aminomethyl)phenyl]amino]-1~{h}-Pyrazolo[3, 4-D]pyrimidin-4-Yl]amino]phenol PDB code: 6fug(A).
		20. Ligand: E88 × 1 (2~{s})-2-[[4-[[3-(Aminomethyl)phenyl]amino]quinazolin- 2-Yl]amino]-3-Methyl-Butanoic acid PDB code: 6fuh(A).
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Cluster 2 contains 1 ligand type

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Ligand		Description
		1. Ligand: CIT × 1 citric acid Citric acid PDB code: 6vmj(W).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 5nb7(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 5mt0(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 10 glycerin Glycerol PDB codes: 1bio(A), 2xw9(A), 2xwa(A), 2xwb(I), 4cbn(A), 4cbo(A), 5fbe(A), 5fbi(A), 5nat(A), 6fty(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 2xw9(A).

Cluster 6 contains 1 ligand type

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