Ligand clusters for UniProt code P00520

Ligand clusters for P00520: Tyrosine-protein kinase ABL1 OS=Mus musculus OX=10090 GN=Abl1 PE=1 SV=3

		5 ligand clusters Cluster 1. 12 ligand types 28 ligands Cluster 2. 6 ligand types 7 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 2 ligands Cluster 5. 1 ligand type 1 ligand
Representative protein: 1opkA

Structures

PDB		Schematic diagram
1opkA
2z60A
2qohA
2hznA
1opjA
		more ...

Cluster 1 contains 12 ligand types

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Ligand		Description
		1. Ligand: STI × 7 imatinib 4-(4-Methyl-Piperazin-1-Ylmethyl)-N-[4-Methyl-3-(4- Pyridin-3-Yl-Pyrimidin-2-Ylamino)-Phenyl]- Benzamide PDB codes: 1iep(A), 1opj(A), 3k5v(A), 3ms9(A), 3mss(A), 6hd4(A), 6hd6(A).
		2. Ligand: 0LI × 2 ponatinib 3-(Imidazo[1,2-B]pyridazin-3-Ylethynyl)-4-Methyl-N-{4- [(4-Methylpiperazin-1-Yl)methyl]-3- (Trifluoromethyl) phenyl}benzamide PDB codes: 3ik3(A), 3oxz(A).
		3. Ligand: P16 × 1 6-(2,6-Dichlorophenyl)-2-{[3-(Hydroxymethyl) phenyl]amino}-8-Methylpyrido[2,3-D]pyrimidin-7(8h)-One PDB code: 1opk(A).
		4. Ligand: P17 × 1 6-(2,6-Dichloro-Phenyl)-8-Methyl-2-(3-Methylsulfanyl- Phenylamino)-8h-Pyrido[2,3-D]pyrimidin-7-One PDB code: 1m52(A).
		5. Ligand: KIN × 1 1-[4-(Pyridin-4-Yloxy)phenyl]-3-[3-(Trifluoromethyl) phenyl]urea PDB code: 2hzn(A).
		6. Ligand: P3Y × 2 5-[3-(2-Methoxyphenyl)-1h-Pyrrolo[2,3-B]pyridin-5-Yl]- N,N-Dimethylpyridine-3-Carboxamide PDB codes: 2qoh(A), 2z60(A).
		7. Ligand: PRC × 1 N-[4-Methyl-3-[[4-(3-Pyridinyl)-2- Pyrimidinyl]amino]phenyl]-3-Pyridinecarboxamide PDB code: 1fpu(A).
_Cl		8. Metal: _CL × 7 PDB codes: 1iep(A), 1opj(A), 3k5v(A), 3ms9(A), 6hd4(A).
		9. Ligand: SX7 × 3 2-Amino-5-[3-(1-Ethyl-1h-Pyrazol-5-Yl)-1h-Pyrrolo[2,3- B]pyridin-5-Yl]-N,N-Dimethylbenzamide PDB codes: 3dk3(A), 3dk6(A), 3dk7(A).
		10. Ligand: B90 × 1 N-[4-(Dimethylphosphoryl)phenyl]-9-[(E)-2-(5-Methyl-1h- Indazol-4-Yl)ethenyl]-9h-Purin-6-Amine PDB code: 3kf4(A).
		11. Ligand: B91 × 1 3-{(E)-2-[6-(Cyclopropylamino)-9h-Purin-9-Yl]ethenyl}- 4-Methyl-N-[3-(4-Methyl-1h-Imidazol-1-Yl)-5- (Trifluoromethyl)phenyl]benzamide PDB code: 3kfa(A).
		12. Ligand: XY3 × 1 5-[(5-{[4-{[4-(2-Hydroxyethyl)piperazin-1-Yl]methyl}-3- (Trifluoromethyl)phenyl]carbamoyl}-2- Methylphenyl) ethynyl]-1-Methyl-1h-Imidazole-2-Carboxamide PDB code: 3oy3(A).

Cluster 2 contains 6 ligand types

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Ligand		Description
		1. Ligand: MYR × 2 Myristic acid PDB codes: 1opj(A), 1opk(A).
		2. Ligand: FYH × 1 3-(Morpholin-4-Ylmethyl)-~{N}-[4-(Trifluoromethyloxy) phenyl]benzamide PDB code: 6hd6(A).
		3. Ligand: FYW × 1 6-[(3~{r})-3-Oxidanylpyrrolidin-1-Yl]-5-Pyrimidin-5-Yl- ~{N}-[4- (Trifluoromethyloxy)phenyl]pyridine-3- Carboxamide PDB code: 6hd4(A).
		4. Ligand: MS7 × 1 O-Benzyl-N-Methyl-L-Tyrosinamide PDB code: 3mss(A).
		5. Ligand: MS9 × 1 Methyl 2-Amino-4-Chlorobenzoate PDB code: 3ms9(A).
		6. Ligand: STJ × 1 3-(6-{[4-(Trifluoromethoxy)phenyl]amino}pyrimidin-4- Yl)benzamide PDB code: 3k5v(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: ALA-PRO-THR-MET-PRO-PRO-PRO-LEU-PRO-PRO × 1 PDB code: 1abo(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 1abo(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 2 glycerin Glycerol PDB codes: 1opk(A), 6hd4(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
_Cl		1. Metal: _CL × 1 PDB code: 3ms9(A).