Ligand clusters for UniProt code P41182

Ligand clusters for P41182: B-cell lymphoma 6 protein from Homo sapiens

		Top 6 (of 18) ligand clusters Cluster 1. 28 ligand types 33 ligands Cluster 2. 22 ligand types 37 ligands Cluster 3. 7 ligand types 22 ligands Cluster 4. 3 ligand types 6 ligands Cluster 5. 3 ligand types 6 ligands Cluster 6. 2 ligand types 2 ligands
Representative protein: 6zbuA

Structures

PDB		Schematic diagram
6zbuA
4cp3A
5mwdA
6xmxA
5mw2A
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Cluster 1 contains 28 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 6zbu(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 6tok(A), 6tol(A).
_Cl		3. Metal: _CL × 3 PDB codes: 5n1z(A), 5n21(A), 6ew8(A).
		4. Ligand: U52 × 2 2-[6-[[5-Chloranyl-2-[(3~{s},5~{r})-3,5- Dimethylpiperidin-1-Yl]pyrimidin-4-Yl]amino]-1-Methyl- 2- Oxidanylidene-Quinolin-3-Yl]oxy-~{N}-Methyl- Ethanamide PDB codes: 5mw2(A), 6xmx(A).
		5. Ligand: 8GN × 1 ~{N}-[5-[[3-Cyano-7-(Cyclopropylamino)pyrazolo[1,5- A]pyrimidin-5-Yl]amino]-2-[(3~{r})-3- (Dimethylamino) pyrrolidin-1-Yl]phenyl]ethanamide PDB code: 5n20(A).
		6. Ligand: 8GQ × 1 Pyrazolo-Pyrimidine macrocycle PDB code: 5n1z(A).
		7. Ligand: 8HH × 1 ~{N}-Ethyl-5-Pyridin-3-Yl-Pyrazolo[1,5-A]pyrimidin-7- Amine PDB code: 5n1x(A).
		8. Ligand: 8HN × 1 2-[(2~{s})-1-[3-Cyano-7-[(2-Oxidanylidene-3,4-Dihydro- 1~{h}-Quinolin-6-Yl)amino]pyrazolo[1,5- A]pyrimidin-5- Yl]pyrrolidin-2-Yl]ethanoic acid PDB code: 5n21(A).
		9. Ligand: C0H × 1 ~{N}2-(2-Chlorophenyl)-1,3,5-Triazine-2,4-Diamine PDB code: 6ew6(A).
		10. Ligand: C0Q × 1 Anilinopyrimidine ligand PDB code: 6ew8(A).
		11. Ligand: C1W × 1 2-Chloranyl-4-[[5-Chloranyl-4-[(4-Fluorophenyl) amino]pyrimidin-2-Yl]amino]benzoic acid PDB code: 6ew7(A).
		12. Ligand: EGP × 1 N-[2-(1h-Indol-3-Yl)ethyl]-N'-{3-[(4-Methylpiperazin-1- Yl)methyl]-1-[2-(Morpholin-4-Yl)-2- Oxoethyl]-1h-Indol- 6-Yl}thiourea PDB code: 6c3l(A).
		13. Ligand: EHY × 1 N-(2-Phenylethyl)-N'-Pyridin-3-Ylthiourea PDB code: 6c3n(A).
		14. Ligand: F8J × 1 2-{6-({[2-(1h-Indol-3-Yl)ethyl]carbamothioyl}amino)-3- [(4-Methylpiperazin-1-Yl)methyl]-1h-Indol-1- Yl}-N- (Propan-2-Yl)acetamide PDB code: 6cq1(A).
		15. Ligand: NQE × 1 2-[(1,3-Dimethyl-2-Oxidanylidene-Benzimidazol-5-Yl) amino]pyridine-3-Carbonitrile PDB code: 6tof(A).
		16. Ligand: NQH × 1 2-Chloranyl-4-(Cyclopropylmethylamino)pyridine-3- Carbonitrile PDB code: 6tog(A).
		17. Ligand: NQK × 1 2-Chloranyl-4-[(1,3-Dimethyl-2-Oxidanylidene- Benzimidazol-5-Yl)amino]pyridine-3-Carbonitrile PDB code: 6toh(A).
		18. Ligand: NQN × 1 2-Chloranyl-4-[[1-Methyl-3-[(3~{r})-3-Oxidanylbutyl]-2- Oxidanylidene-Benzimidazol-5- Yl]amino]pyridine-3- Carbonitrile PDB code: 6toi(A).
		19. Ligand: NQQ × 1 2-Chloranyl-4-[[1-Methyl-3-(3-Methyl-3-Oxidanyl-Butyl)- 2-Oxidanylidene-Benzimidazol-5- Yl]amino]pyridine-3- Carbonitrile PDB code: 6toj(A).
		20. Ligand: NQT × 1 5-[[5-Chloranyl-2-(3,5-Dimethylpyrazol-1-Yl)pyrimidin- 4-Yl]amino]-1-Methyl-3-(3-Methyl-3-Oxidanyl- Butyl) benzimidazol-2-One PDB code: 6tok(A).
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Cluster 2 contains 22 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6tog(A), 6tok(A).
		2. Ligand: GOL × 1 glycerin Glycerol PDB code: 6zbu(A).
		3. Ligand: RBT × 1 rifabutin Rifabutin PDB code: 4cp3(A).
		4. Ligand: EDO × 11 1,2-Ethanediol PDB codes: 5h7h(A), 5x4n(A), 5x4q(A), 5x9o(A), 6toh(A), 6toj(A), 6tok(A), 6tol(A),
		5. Ligand: SO4 × 5 Sulfate ion PDB codes: 5h7g(A), 6zbu(A),
		6. Ligand: 7Z6 × 1 5-[[5-Chloranyl-2-(Pyridin-3-Ylmethylamino)pyrimidin-4- Yl]amino]-1,3-Dihydroindol-2-One PDB code: 5x4q(A).
		7. Ligand: 7ZF × 1 N-Phenyl-1,3,5-Triazine-2,4-Diamine PDB code: 5x4m(A).
		8. Ligand: 7ZL × 1 5-Chloro-N4-Phenylpyrimidine-2,4-Diamine PDB code: 5x4n(A).
		9. Ligand: 7ZO × 1 5-[(5-Chloranylpyrimidin-4-Yl)amino]-1,3-Dihydroindol- 2-One PDB code: 5x4p(A).
		10. Ligand: 80L × 1 3-[[4-Chloranyl-2-Nitro-5-[(2-Oxidanylidene-1,3- Dihydrobenzimidazol-5- Yl)amino]phenyl]amino]propanoic acid PDB code: 5x9p(A).
		11. Ligand: 80R × 1 5-[(2-Chloranyl-4-Nitro-Phenyl)amino]-1,3- Dihydrobenzimidazol-2-One PDB code: 5x9o(A).
		12. Ligand: 8HH × 1 ~{N}-Ethyl-5-Pyridin-3-Yl-Pyrazolo[1,5-A]pyrimidin-7- Amine PDB code: 5n1x(A).
		13. Ligand: 8HN × 1 2-[(2~{s})-1-[3-Cyano-7-[(2-Oxidanylidene-3,4-Dihydro- 1~{h}-Quinolin-6-Yl)amino]pyrazolo[1,5- A]pyrimidin-5- Yl]pyrrolidin-2-Yl]ethanoic acid PDB code: 5n21(A).
		14. Ligand: ACE-TRP-ARG-VAL-PRO × 1 ACE=Acetyl group. PDB code: 5h7h(A).
		15. Ligand: C1W × 1 2-Chloranyl-4-[[5-Chloranyl-4-[(4-Fluorophenyl) amino]pyrimidin-2-Yl]amino]benzoic acid PDB code: 6ew7(A).
		16. Ligand: EGP × 1 N-[2-(1h-Indol-3-Yl)ethyl]-N'-{3-[(4-Methylpiperazin-1- Yl)methyl]-1-[2-(Morpholin-4-Yl)-2- Oxoethyl]-1h-Indol- 6-Yl}thiourea PDB code: 6c3l(A).
		17. Ligand: EHY × 1 N-(2-Phenylethyl)-N'-Pyridin-3-Ylthiourea PDB code: 6c3n(A).
		18. Ligand: F8J × 1 2-{6-({[2-(1h-Indol-3-Yl)ethyl]carbamothioyl}amino)-3- [(4-Methylpiperazin-1-Yl)methyl]-1h-Indol-1- Yl}-N- (Propan-2-Yl)acetamide PDB code: 6cq1(A).
		19. Ligand: RC0 × 1 5-Chloranyl-~{N}-(4-Chlorophenyl)-2-(3,5- Dimethylpyrazol-1-Yl)pyrimidin-4-Amine PDB code: 5mw6(A).
		20. Ligand: U52 × 1 2-[6-[[5-Chloranyl-2-[(3~{s},5~{r})-3,5- Dimethylpiperidin-1-Yl]pyrimidin-4-Yl]amino]-1-Methyl- 2- Oxidanylidene-Quinolin-3-Yl]oxy-~{N}-Methyl- Ethanamide PDB code: 6xmx(A).
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Cluster 3 contains 7 ligand types

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Ligand		Description
		1. Ligand: EDO × 7 1,2-Ethanediol PDB codes: 6toi(A), 6toj(A), 6tol(A), 6tom(A), 6ton(A), 6too(A),
		2. Ligand: TRP × 4 PDB codes: 6toi(A), 6tok(A), 6ton(A), 6too(A).
		3. Ligand: VAL-ILE-PRO-ALA × 4 PDB codes: 6toi(A), 6tok(A), 6ton(A), 6too(A).
		4. Ligand: ALA-TRP-VAL-ILE-PRO-ALA × 3 PDB codes: 6tof(A), 6tog(A), 6toh(A).
		5. Ligand: Z88 × 2 N-[(4-Bromophenyl)sulfonyl]acetamide PDB codes: 3lbz(A),
		6. Ligand: MPD × 1 (4s)-2-Methyl-2,4-Pentanediol PDB code: 6xwf(A).
		7. Ligand: SER-ASP-LEU-TYR-LEU-ARG-PRO-GLY × 1 PDB code: 6xzz(A).

Cluster 4 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 2 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6toi(A), 6tok(A).
		2. Ligand: EDO × 3 1,2-Ethanediol PDB codes: 6tof(A), 6toh(A), 6tol(A).
		3. Ligand: ACE-TRP-ARG-VAL-PRO × 1 ACE=Acetyl group. PDB code: 5h7h(A).

Cluster 5 contains 3 ligand types

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Ligand		Description
		1. Ligand: DMS × 3 dimethyl sulfoxide Dimethyl sulfoxide PDB codes: 6toi(A), 6tok(A), 6tol(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6toj(A), 6tok(A).
		3. Ligand: U52 × 1 2-[6-[[5-Chloranyl-2-[(3~{s},5~{r})-3,5- Dimethylpiperidin-1-Yl]pyrimidin-4-Yl]amino]-1-Methyl- 2- Oxidanylidene-Quinolin-3-Yl]oxy-~{N}-Methyl- Ethanamide PDB code: 6xmx(A).

Cluster 6 contains 2 ligand types

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Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6xyx(A).
		2. Ligand: SO4 × 1 Sulfate ion PDB code: 6zbu(A).