Ligand clusters for UniProt code P10415

Ligand clusters for P10415: Apoptosis regulator Bcl-2 from Homo sapiens

		3 ligand clusters Cluster 1. 17 ligand types 26 ligands Cluster 2. 3 ligand types 7 ligands Cluster 3. 1 ligand type 1 ligand
Representative protein: 1yswA

Structures

PDB		Schematic diagram
1yswA
2o21A
6qgkA
4lvtA
2w3lA
		more ...

Cluster 1 contains 17 ligand types

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Ligand		Description
		1. Ligand: LBM × 4 venetoclax 4-{4-[(4'-Chloro-5,5-Dimethyl[3,4,5,6-Tetrahydro[1,1'- Biphenyl]]-2-Yl)methyl]piperazin-1-Yl}-N- [(3-Nitro-4- {[(Oxan-4-Yl)methyl]amino}phenyl)sulfonyl]-2-[(1h- Pyrrolo[2,3-B]pyridin-5- Yl)oxy]benzamide PDB codes: 6o0k(A), 6o0l(A), 6o0m(A), 6o0p(A).
		2. Ligand: 1XJ × 2 4-(4-{[2-(4-Chlorophenyl)-5,5-Dimethylcyclohex-1-En-1- Yl]methyl}piperazin-1-Yl)-N-[(4-{[(2r)-4- (Morpholin-4- Yl)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3- [(Trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide PDB codes: 4lvt(A), 6qgh(A).
		3. Ligand: 398 × 2 N,N-Dibutyl-4-Chloranyl-1-[2-(3,4-Dihydro-1h- Isoquinolin-2-Ylcarbonyl)-4-[(7- Iodanylnaphthalen- 2-Yl)sulfonylcarbamoyl]phenyl]-5-Met pyrazole-3-Carboxamide PDB codes: 4aq3(A),
		4. Ligand: 43B × 2 3-Nitro-N-{4-[2-(2-Phenylethyl)-1,3-Benzothiazol-5- Yl]benzoyl}-4-{[2- (Phenylsulfanyl) ethyl]amino}benzenesulfonamide PDB codes: 1ysw(A), 2o21(A).
		5. Ligand: F3Q × 2 ~{N}-(4-Hydroxyphenyl)-3-[6-[[(3~{s})-3-(Morpholin-4- Ylmethyl)-3,4-Dihydro-1~{h}-Isoquinolin-2- Yl]carbonyl]-1,3-Benzodioxol-5-Yl]-~{N}-Phenyl-5,6,7, 8-Tetrahydroindolizine-1-Carboxamide PDB codes: 6gl8(A), 6o0o(A).
		6. Ligand: PEG × 2 Di(hydroxyethyl)ether PDB codes: 6o0m(A), 6o0p(A).
		7. Ligand: XZD × 2 Phosphoric acid mono-[5-(5-{4-[2-(4-Chloro-Phenyl)-4,4- Dimethyl-Cyclohex-1-Enylmethyl]-Piperazin- 1-Yl}-2-{3- Nitro-4-[(Tetrahydro-Pyran-4-Ylmethyl)-Amino]- Benzenesulfonylaminocarbonyl}-Phenoxy)- Pyrrolo[2,3- B]pyridin-7-Ylmethyl] ester PDB codes: 7lhb(A),
		8. Ligand: 1E9 × 1 N-(6-{4-[(4'-Chlorobiphenyl-2-Yl)methyl]piperazin-1- Yl}-1,1-Dioxido-1,2-Benzothiazol-3-Yl)-4- {[(2r)-4- (Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3- Nitrobenzenesulfonamide PDB code: 4ieh(A).
		9. Ligand: 1XV × 1 4-(4-{[4-(4-Chlorophenyl)-5,6-Dihydro-2h-Pyran-3- Yl]methyl}piperazin-1-Yl)-N-{[3-Nitro-4- (Tetrahydro- 2h-Pyran-4-Ylamino)phenyl]sulfonyl}benzamide PDB code: 4lxd(A).
		10. Ligand: 1Y1 × 1 4-[4-({4'-Chloro-3-[2-(Dimethylamino)ethoxy]biphenyl-2- Yl}methyl)piperazin-1-Yl]-2-(1h-Indol-5- Yloxy)-N-({3- Nitro-4-[(Tetrahydro-2h-Pyran-4-Ylmethyl) amino]phenyl}sulfonyl)benzamide PDB code: 4man(A).
		11. Ligand: ACT × 1 Acetate ion PDB code: 6qgk(A).
		12. Ligand: DRO × 1 1-(2-{[(3s)-3-(Aminomethyl)-3,4-Dihydroisoquinolin- 2(1h)-Yl]carbonyl}phenyl)-4-Chloro-5-Methyl- N,N- Diphenyl-1h-Pyrazole-3-Carboxamide PDB code: 2w3l(A).
		13. Ligand: J1H × 1 [(3~{r})-3-[[4-[[4-[4-[[2-(4-Chlorophenyl) phenyl]methyl]piperazin-1- Yl]phenyl]carbonylsulfamoyl]-2-Nitro-Phenyl]amino]-4- Phenylsulfanyl-Butyl]-(2-Hydroxy-2- Oxoethyl)-Dimethyl- Azanium PDB code: 6qgg(A).
		14. Ligand: J1Q × 1 1-[2-[[(3~{s})-3-(Aminomethyl)-3,4-Dihydro-1~{h}- Isoquinolin-2-Yl]carbonyl]phenyl]-~{N},~{N}- Dibutyl-5- Methyl-Pyrazole-3-Carboxamide PDB code: 6qgk(A).
		15. Ligand: J1T × 1 4-[4-[(1~{r})-1-(6-Methoxy-1,3-Benzodioxol-5-Yl)-2- Pyrrolidin-1-Yl-Ethyl]phenyl]-~{N}-[4- [[(2~{r})-4- Morpholin-4-Yl-1-Phenylsulfanyl-Butan-2-Yl]amino]-3- (Trifluoromethylsulfonyl)phenyl]sulfonyl-Benzamide PDB code: 6qgj(A).
		16. Ligand: LI0 × 1 4-(4-Benzyl-4-Methoxypiperidin-1-Yl)-N-[(4-{[1,1- Dimethyl-2-(Phenylthio)ethyl]amino}-3- Nitrophenyl) sulfonyl]benzamide PDB code: 2o2f(A).
		17. Ligand: LIU × 1 N-[(4-{[1,1-Dimethyl-2-(Phenylthio)ethyl]amino}-3- Nitrophenyl)sulfonyl]-4-(4,4-Dimethylpiperidin- 1-Yl) benzamide PDB code: 2o22(A).

Cluster 2 contains 3 ligand types

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Ligand		Description
		1. Ligand: PEG × 5 Di(hydroxyethyl)ether PDB codes: 6o0l(A), 6o0m(A), 6o0p(A),
		2. Ligand: 2PE × 1 Nonaethylene glycol PDB code: 6o0k(A).
_Cl		3. Metal: _CL × 1 PDB code: 6o0l(A).

Cluster 3 contains 1 ligand type

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Ligand		Description
		1. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6o0m(A).