Ligand clusters for UniProt code P14902

Ligand clusters for P14902: Indoleamine 2,3-dioxygenase 1 from Homo sapiens

		Top 6 (of 15) ligand clusters Cluster 1. 43 ligand types 87 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 3 ligand types 4 ligands Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 7a62C

Structures

PDB		Schematic diagram
7a62C
6wpeA
5wn8A
5wmuA
6e41A
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Cluster 1 contains 43 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 5 glycerin Glycerol PDB codes: 6dpq(A), 6e45(A), 6mq6(A), 7ah6(A).
		2. Ligand: BEZ × 1 benzoic acid Benzoic acid PDB code: 6e43(A).
		3. Ligand: NHE × 4 2-[N-Cyclohexylamino]ethane sulfonic acid PDB codes: 2d0t(A), 2d0u(A),
		4. Ligand: HEM × 13 Protoporphyrin IX containing fe PDB codes: 5whr(A), 6azu(A), 6dpq(A), 6dpr(A), 6e44(A), 6e45(A), 6e46(A), 6f0a(A), 6mq6(A), 6pz1(A), 6ubp(A), 7a62(A),
		5. Ligand: TRP × 10 PDB codes: 5wmu(A), 5wmv(A), 5wmw(A), 5wmx(A), 6cxu(A), 6cxv(A), 6e35(A), 6e46(A), 6ubp(A).
		6. Ligand: NHE × 4 2-[N-Cyclohexylamino]ethane sulfonic acid PDB codes: 4u72(A), 4u74(A),
		7. Ligand: HEM-CYN × 5 HEM=Protoporphyrin IX containing fe, CYN=Cyanide ion. PDB codes: 5wmu(A), 5wmw(A), 6cxu(A), 6cxv(A), 6e35(A).
		8. Ligand: ZCW × 4 2-(1h-Indol-3-Yl)ethanol PDB codes: 5wmv(A), 5wmx(A), 6cxv(A), 6e35(A).
		9. Ligand: CYN-HEM × 3 CYN=Cyanide ion, HEM=Protoporphyrin IX containing fe. PDB codes: 2d0u(A), 5wmv(A), 5wmx(A).
		10. Ligand: HEM-PIM × 3 HEM=Protoporphyrin IX containing fe, PIM=4-Phenyl-1h-Imidazole. PDB codes: 2d0t(A), 4u72(A), 4u74(A).
		11. Ligand: AOJ × 2 (3r)-3-(5-Fluoro-1h-Indol-3-Yl)pyrrolidine-2,5-Dione PDB codes: 5whr(A), 6pz1(A).
		12. Ligand: HEM-BBJ × 2 HEM=Protoporphyrin IX containing fe, BBJ=N-(3-Bromo-4-Fluorophenyl)-N'-Hydroxy-4-{[2- (Sulfamoylamino)ethyl]amino}-1,2,5-Oxadiazole-3- Carboximidamide. PDB codes: 5wn8(A), 6e40(A).
		13. Ligand: ALA × 1 PDB code: 6f0a(A).
		14. Ligand: C4V × 1 (1r,2s)-2-(4-[Bis(2-Methylpropyl)amino]-3-{[(4- Methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1- Carboxylic acid PDB code: 6azv(A).
		15. Ligand: C51 × 1 (2r)-N-(4-Cyanophenyl)-2-[Cis-4-(Quinolin-4-Yl) cyclohexyl]propanamide PDB code: 6azw(A).
		16. Ligand: C82 × 1 ~{N}-(4-Chlorophenyl)-1~{h}-1,2,3-Triazol-5-Amine PDB code: 6f0a(A).
		17. Ligand: H7P × 1 (2r)-N-(4-Chlorophenyl)-2-[Cis-4-(6-Fluoroquinolin-4- Yl)cyclohexyl]propanamide PDB code: 6dpr(A).
		18. Ligand: HEM-5PF × 1 HEM=Protoporphyrin IX containing fe, 5PF=(1~{r})-1-Cyclohexyl-2-[(5~{s})-6-Fluoranyl-5~{h}- Imidazo[1,5-B]isoindol-5-Yl]ethanol. PDB code: 5ek4(A).
		19. Ligand: HEM-5PJ × 1 HEM=Protoporphyrin IX containing fe, 5PJ=1-Cyclohexyl-2-[(5~{s})-6-Fluoranyl-5~{h}-Imidazo[1,5- B]isoindol-5-Yl]ethanone. PDB code: 5ek2(A).
		20. Ligand: HEM-5PK × 1 HEM=Protoporphyrin IX containing fe, 5PK=(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5- B]isoindol-5-Yl]ethanol. PDB code: 5ek3(A).
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Cluster 2 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6e45(A), 7a62(A).
		2. Ligand: HQS × 1 N-(3-Bromo-4-Fluorophenyl)-N'-Hydroxy-4-{[2- (Sulfamoylamino)ethyl]sulfanyl}-1,2,5-Oxadiazole-3- Carboximidamide PDB code: 6e41(A).

Cluster 3 contains 3 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 7a62(C).
		2. Ligand: HQJ × 2 4-(3-Chlorophenyl)-1h-Imidazole PDB codes: 6e42(A),
		3. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6dpr(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6dpq(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6mq6(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6pz1(A).