Ligand clusters for UniProt code P01375

Ligand clusters for P01375: Tumor necrosis factor from Homo sapiens

		Top 6 (of 7) ligand clusters Cluster 1. 16 ligand types 50 ligands Cluster 2. 1 ligand type 1 ligand Cluster 3. 1 ligand type 3 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 1 ligand
Representative protein: 7jraA

Structures

PDB		Schematic diagram
7jraA
7kpbA
7kp9A
6ooyA
6op0A
		more ...

Cluster 1 contains 16 ligand types

Use checkboxes to select ligands to display in RasMol, Jmol, or download as an SDF file. Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 2zjc(A), 4twt(A), 7jra(C).
		2. Ligand: JNI × 7 ~{N}4-(Phenylmethyl)-~{N}4-[2-[3-(2-Piperazin-1- Ylpyrimidin-5-Yl)phenyl]phenyl]pyrimidine-2,4- Diamine PDB codes: 5mu8(A),
		3. Ligand: UTS × 6 1-Benzyl-1h-Benzimidazole PDB codes: 6x83(A),
		4. Ligand: D84 × 4 5-(1-{[2-(Difluoromethoxy)phenyl]methyl}-2-{[3-(2- Oxopyrrolidin-1-Yl)phenoxy]methyl}-1h- Benzimidazol-6- Yl)pyridin-2(1h)-One PDB codes: 7kpa(A), 7kpb(A),
		5. Ligand: UTJ × 4 [4-(Isoquinolin-8-Yl)phenyl]acetonitrile PDB codes: 6x81(A),
		6. Ligand: 307 × 3 6,7-Dimethyl-3-[(Methyl{2-[Methyl({1-[3- (Trifluoromethyl)phenyl]-1h-Indol-3- Yl}methyl) amino]ethyl}amino)methyl]-4h-Chromen-4-One PDB codes: 2az5(A),
		7. Ligand: A7G × 3 1-{[2-(Difluoromethoxy)phenyl]methyl}-2-Methyl-6-[6- (Piperazin-1-Yl)pyridin-3-Yl]-1h-Benzimidazole PDB codes: 7kp9(A),
		8. Ligand: UTY × 3 3-[(6-{2-[(3r)-4-(Hydroxyacetyl)-3-Methylpiperazin-1- Yl]pyrimidin-5-Yl}-2,2-Dimethyl-3-Oxo-2,3- Dihydro-1h- Indol-1-Yl)methyl]pyridine-2-Carbonitrile PDB codes: 6x86(A),
		9. Ligand: 38A × 2 (2,4,6-Trimethylbenzene-1,3,5-Triyl)trimethanol PDB codes: 4twt(B),
		10. Ligand: A6Y × 2 (S)-{1-[(2,5-Dimethylphenyl)methyl]-1h-Benzimidazol-2- Yl}(pyridin-4-Yl)methanol PDB codes: 6ooz(A),
		11. Ligand: A7A × 2 (R)-{1-[(2,5-Dimethylphenyl)methyl]-6-(1-Methyl-1h- Pyrazol-4-Yl)-1h-Benzimidazol-2-Yl}(pyridin-4- Yl) methanol PDB codes: 6op0(A),
		12. Ligand: UTM × 2 8-[4-(2-{5-[(4-Methylpiperazin-1-Yl)methyl]-2-(1h- Pyrrolo[3,2-C]pyridin-3- Yl)phenoxy}ethyl) phenyl]isoquinoline PDB codes: 6x82(A),
		13. Ligand: UTV × 2 1-{[2-(Difluoromethoxy)phenyl]methyl}-2,2-Dimethyl-1,2- Dihydro-3h-Indol-3-One PDB codes: 6x85(A),
		14. Ligand: VGY × 2 2-[5-(3-Chloro-4-{[(1r)-1-(2-Fluorophenyl) ethyl]amino}quinolin-6-Yl)pyrimidin-2-Yl]propan-2-Ol PDB codes: 7jra(A),
		15. Ligand: A7M × 1 {1-[(2,5-Dimethylphenyl)methyl]-1h-Benzimidazol-2- Yl}methanol PDB code: 6ooy(A).
		16. Ligand: MRD × 1 (4r)-2-Methylpentane-2,4-Diol PDB code: 6ooy(A).

Cluster 2 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: MTN × 1 S-[(1-Oxyl-2,2,5,5-Tetramethyl-2,5-Dihydro-1h-Pyrrol-3- Yl)methyl] methanesulfonothioate PDB code: 5uui(A).

Cluster 3 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 4twt(B), 7kpb(A),

Cluster 4 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 7kpb(A),

Cluster 5 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 7kpb(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 7kpb(B).