Ligand clusters for UniProt code P12931

Ligand clusters for P12931: Proto-oncogene tyrosine-protein kinase Src from Homo sapiens

		5 ligand clusters Cluster 1. 37 ligand types 43 ligands Cluster 2. 9 ligand types 12 ligands Cluster 3. 1 ligand type 1 ligand Cluster 4. 1 ligand type 1 ligand Cluster 5. 1 ligand type 1 ligand
Representative protein: 1y57A

Structures

PDB		Schematic diagram
1y57A
6e6eA
2bdjA
4mxxA
2bdfA
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Cluster 1 contains 37 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: CIT × 1 citric acid Citric acid PDB code: 1o4l(A).
		2. Ligand: HPS × 2 Phenyl dihydrogen phosphate PDB codes: 1o4o(A),
		3. Ligand: 262 × 1 2-Formylphenyl dihydrogen phosphate PDB code: 1o4d(A).
		4. Ligand: 299 × 1 2,6-Diformyl-4-Methylphenyl dihydrogen phosphate PDB code: 1o4e(A).
		5. Ligand: 790 × 1 1,2,3,4-Tetrahydroquinolin-8-Yl dihydrogen phosphate PDB code: 1o4f(A).
		6. Ligand: 300 × 1 2-Formyl-6-Methoxyphenyl dihydrogen phosphate PDB code: 1o41(A).
		7. Ligand: 843 × 1 N-Acetyl-N-[1-(1,1'-Biphenyl-4-Ylmethyl)-2-Oxoazepan- 3-Yl]-O-Phosphonotyrosinamide PDB code: 1o42(A).
		8. Ligand: 687 × 1 N-Acetyl-N-[1-(1,1'-Biphenyl-4-Ylmethyl)-2-Oxoazepan- 3-Yl]-3-Formyl-O-Phosphonotyrosinamide PDB code: 1o45(A).
		9. Ligand: 772 × 1 2-Cyanoquinolin-8-Yl dihydrogen phosphate PDB code: 1o4h(A).
		10. Ligand: 219 × 1 Cyclohexylmethyl 2-Formylphenyl hydrogen (s)-Phosphate PDB code: 1o4i(A).
		11. Ligand: PSN × 1 Benzyl 2-Formylphenyl hydrogen phosphate PDB code: 1o4k(A).
		12. Ligand: 791 × 1 2-Phenylmalonic acid PDB code: 1o4p(A).
		13. Ligand: 256 × 1 Phenyl(sulfo)acetic acid PDB code: 1o4q(A).
		14. Ligand: IS2 × 1 [(4-Ethylphenyl)amino]carbonylphosphonic acid PDB code: 1o4j(A).
		15. Ligand: 197 × 1 4-[2-Acetylamino-2-(1-Biphenyl-4-Ylmethyl-2-Oxo- Azepan-3-Ylcarbamoyl)-Ethyl]-2-Formyl-Benzoic acid PDB code: 1o4a(A).
		16. Ligand: 493 × 1 {4-[2-Acetylamino-2-(1-Biphenyl-4-Ylmethyl-2-Oxo- Azepan-3-Ylcarbamoyl)-Ethyl]-2-Phosphono- Phenoxy}- Acetic acid PDB code: 1o49(A).
		17. Ligand: 822 × 1 N-Acetyl-N-[1-(1,1'-Biphenyl-4-Ylmethyl)-2-Oxoazepan- 3-Yl]-4- [Difluoro(phosphono)methyl]phenylalaninamide PDB code: 1o47(A).
		18. Ligand: 853 × 1 5-[2-Acetylamino-2-(1-Biphenyl-4-Ylmethyl-2-Oxo- Azepan-3-Ylcarbamoyl)-Ethyl]-2-Carboxymethyl- Benzoic acid PDB code: 1o48(A).
		19. Ligand: 876 × 1 N-Acetyl-N-[1-(1,1'-Biphenyl-4-Ylmethyl)-2-Oxoazepan- 3-Yl]-3,4-Diphosphonophenylalaninamide PDB code: 1o4b(A).
		20. Ligand: 852 × 1 2-{4-[2-Acetylamino-2-(1-Biphenyl-4-Ylmethyl-2-Oxo- Azepan-3-Ylcarbamoyl)-Ethyl]-2-Carboxy-Phenyl}- Malonic acid PDB code: 1o44(A).
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Cluster 2 contains 9 ligand types

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Ligand		Description
		1. Ligand: DB8 × 4 bosutinib 4-[(2,4-Dichloro-5-Methoxyphenyl)amino]-6-Methoxy-7-[3- (4-Methylpiperazin-1-Yl)propoxy]quinoline- 3- Carbonitrile PDB codes: 4mxo(A), 4mxx(A), 4mxy(A), 4mxz(A).
		2. Ligand: P01 × 1 2-({6-[(3-Chlorophenyl)amino]-9-Isopropyl-9h-Purin-2- Yl}amino)-3-Methylbutan-1-Ol PDB code: 1yom(A).
		3. Ligand: HET × 1 3-[2-(2-Cyclopentyl-6-{[4-(Dimethylphosphoryl) phenyl]amino}-9h-Purin-9-Yl)ethyl]phenol PDB code: 2bdj(A).
		4. Ligand: 24A × 1 {[(4-{[2-(4-Aminocyclohexyl)-9-Ethyl-9h-Purin-6- Yl]amino}phenyl)(hydroxy)phosphoryl]methyl}phosphonic acid PDB code: 2bdf(A).
		5. Ligand: S03 × 1 1-{4-[4-Amino-5-(3-Methoxyphenyl)-7h-Pyrrolo[2,3- D]pyrimidin-7-Yl]benzyl}piperidin-4-Ol PDB code: 1yol(A).
		6. Ligand: MPZ × 1 4-[(4-Methylpiperazin-1-Yl)methyl]-N-{3-[(4-Pyridin-3- Ylpyrimidin-2-Yl)amino]phenyl}benzamide PDB code: 1y57(A).
		7. Ligand: 6H3 × 1 N-{2-[(5-Chloro-2-{[4-(4-Methylpiperazin-1-Yl) phenyl]amino}pyrimidin-4-Yl)amino]phenyl}propanamide PDB code: 6ate(A).
		8. Ligand: HVY × 1 N-(2-Chloro-6-Methylphenyl)-2-{[4-(4-Methylpiperazin-1- Yl)phenyl]amino}-4-{[2- (Propanoylamino) phenyl]amino}pyrimidine-5-Carboxamide PDB code: 6e6e(A).
		9. Ligand: SO4 × 1 Sulfate ion PDB code: 1y57(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: ARG-GLY-THR × 1 PDB code: 4hxj(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: SO4 × 1 Sulfate ion PDB code: 1y57(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
_Zn		1. Metal: _ZN × 1 PDB code: 6c4s(A).