Ligand clusters for UniProt code O60341

Ligand clusters for O60341: Lysine-specific histone demethylase 1A from Homo sapiens

		Top 6 (of 23) ligand clusters Cluster 1. 62 ligand types 148 ligands Cluster 2. 5 ligand types 34 ligands Cluster 3. 3 ligand types 8 ligands Cluster 4. 3 ligand types 5 ligands Cluster 5. 2 ligand types 7 ligands Cluster 6. 2 ligand types 31 ligands
Representative protein: 2x0lA

Structures

PDB		Schematic diagram
2x0lA
6tuyA
2xagA
2xajA
2iw5A
		more ...

Cluster 1 contains 62 ligand types (of which only 20 are listed. Click for all)

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: FAD × 47 flavin adenine dinucleotide Flavin-Adenine dinucleotide PDB codes: 2dw4(A), 2h94(A), 2hko(A), 2iw5(A), 2v1d(A), 2x0l(A), 2y48(A), 3zms(A), 3zmt(A), 3zmu(A), 3zmv(A), 3zmz(A), 3zn0(A), 3zn1(A), 4bay(A), 4czz(A), 4kum(A), 4xbf(A), 5h6q(A), 5h6r(A), 5l3b(A), 5l3c(A), 5l3d(A), 5l3e(A), 5l3f(A), 5l3g(A), 5lbq(A), 5lgn(A), 5lgt(A), 5lgu(A), 5lhg(A), 5lhh(A), 5lhi(A), 5x60(A), 5yjb(A), 6nqm(A), 6s35(A), 6te1(A), 6tuy(A), 6vyp(M), 6w4k(A), 6wc6(A), 7cdc(A), 7cdd(A), 7cde(A), 7cdf(A), 7cdg(A).
		2. Ligand: GOL × 18 glycerin Glycerol PDB codes: 2iw5(A), 2uxx(A), 5lhh(A), 6kgk(A), 6kgl(A), 6kgm(A), 6kgn(A), 6kgo(A), 6kgp(A), 7cde(A), 7cdg(A), 7vqs(A), 7vqt(A), 7vqu(A), 7w3l(A),
		3. Ligand: DJ0-FAD × 6 DJ0=3-[3,5-Bis(fluoranyl)-2-Phenylmethoxy-Phenyl]propanal, FAD=Flavin-Adenine dinucleotide. PDB codes: 6kgk(A), 6kgl(A), 6kgm(A), 6kgn(A), 6kgo(A), 6kgp(A).
		4. Ligand: E11 × 5 N~4~-(1-Benzylpiperidin-4-Yl)-N~2~-[3-(Dimethylamino) propyl]-6,7-Dimethoxyquinazoline-2,4-Diamine PDB codes: 5l3e(A),
		5. Ligand: 767 × 3 N2-(3-(Dimethylamino)propyl)-6,7-Dimethoxy-N4,N4- Dimethylquinazoline-2,4-Diamine PDB codes: 5lbq(A),
		6. Ligand: NY8 × 3 ~{N}2-[3-(Dimethylamino)propyl]-6,7-Dimethoxy-~{N}4-[1- (Naphthalen-2-Ylmethyl)piperidin-4- Yl]quinazoline-2,4- Diamine PDB codes: 6tuy(A),
		7. Ligand: 6X3 × 2 4-Methyl-N-[4-[[4-[(1-Methyl-4-Piperidyl) oxy]phenoxy]methyl]phenyl]thieno[3,2-B]pyrrole-5- Carboxamide PDB codes: 5lhg(A),
		8. Ligand: 7UQ-FAD × 2 7UQ=3-[3,5-Bis(fluoranyl)-2-[(2-Fluoranylpyridin-3-Yl) methoxy]phenyl]propanal, FAD=Flavin-Adenine dinucleotide. PDB codes: 7vqs(A), 7vqu(A).
		9. Ligand: DJC-FAD × 2 DJC=3-[4-[5-Fluoranyl-2-(Trifluoromethyl) phenyl]phenyl]propanal, FAD=Flavin-Adenine dinucleotide. PDB codes: 6kgq(A), 6kgr(A).
		10. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 6k3e(A),
		11. Ligand: F2N × 2 [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4- Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5- [7, 8-Dimethyl-2,4-Dioxo-5-(3-Phenylpropanoyl)-1,3,4,5- Tetrahydrobenzo[g]pteridin-10(2h)-Yl]- 2,3,4- Trihydroxypentyl dihydrogen diphosphate PDB codes: 2ejr(A), 2z3y(A).
		12. Ligand: FAD-TCF × 2 FAD=Flavin-Adenine dinucleotide, TCF=3-(4-Bromophenyl)propanamide. PDB codes: 2xaf(A), 2xag(A).
		13. Ligand: FAJ × 2 Fad-Trans-2-Phenylcyclopropylamine adduct PDB codes: 2uxx(A), 2z5u(A).
		14. Ligand: IMD × 2 Imidazole PDB codes: 7e0g(A),
		15. Ligand: MPD × 2 (4s)-2-Methyl-2,4-Pentanediol PDB codes: 6kgq(A), 6kgr(A).
		16. Ligand: N4K × 2 5-[4-Cyclobutyl-1-[2-(4-Piperidin-4-Yloxyphenoxy) ethyl]imidazol-2-Yl]-4-Methyl-Thieno[3,2- B]pyrrole PDB codes: 6te1(A),
		17. Ligand: 12F × 1 [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4- Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)-5- [(1r,3r,3as)-3-[2-(Benzyloxy)-3-Fluorophenyl]-1- Hydroxy-10,11-Dimethyl-4,6-Dioxo-2,3,5,6- Tetrahydro- 1h-Benzo[g]pyrrolo[2,1-E]pteridin-8(4h)-Yl]-2,3,4- Trihydroxypentyl dihydrogen diphosphate PDB code: 3abu(A).
		18. Ligand: 2PF × 1 [(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4- Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s)- 2,3,4- Trihydroxy-5-[(1r,3r,3as)-1-Hydroxy-10,11-Dimethyl-4, 6-Dioxo-3-(Pentafluorophenyl)- 2,3,5,6-Tetrahydro-1h- Benzo[g]pyrrolo[2,1-E]pteridin-8(4h)-Yl]pentyl dihydrogen diphosphate PDB code: 3abt(A).
		19. Ligand: 6W0 × 1 ~{N}-[3-(Methoxymethyl)phenyl]-4-Methyl-Thieno[3,2- B]pyrrole-5-Carboxamide PDB code: 5lgn(A).
		20. Ligand: 6W1 × 1 4-Methyl-~{N}-[2-[[4-[[(3~{r})-Pyrrolidin-3- Yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-B]pyrrole- 5-Carboxamide PDB code: 5lgu(A).
+ more. Press for full list

Cluster 2 contains 5 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 29 glycerin Glycerol PDB codes: 5h6q(A), 5h6r(A), 5lhg(A), 5lhh(A), 5lhi(A), 5x60(A), 5yjb(A), 6kgk(A), 6kgl(A), 6kgm(A), 6kgn(A), 6kgo(A), 6kgp(A), 6te1(A), 6tuy(A), 7cdc(A), 7cdd(A), 7cde(A), 7cdf(A), 7cdg(A), 7vqs(A), 7vqt(A), 7vqu(A), 7w3l(A),
		2. Ligand: DMS × 1 dimethyl sulfoxide Dimethyl sulfoxide PDB code: 6tuy(A).
		3. Ligand: SO4 × 2 Sulfate ion PDB codes: 4xbf(A),
		4. Ligand: LEU-SER-PHE-LEU-VAL × 1 PDB code: 3zmv(A).
		5. Ligand: MLA × 1 Malonic acid PDB code: 6k3e(A).

Cluster 3 contains 3 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 5h6q(A), 6kgm(A), 6kgn(A), 7cde(A), 7cdf(A), 7cdg(A).
		2. Ligand: MLA × 1 Malonic acid PDB code: 6k3e(A).
		3. Ligand: SO4 × 1 Sulfate ion PDB code: 4xbf(A).

Cluster 4 contains 3 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 3 glycerin Glycerol PDB codes: 5lhg(A), 5lhh(A), 6te1(A).
		2. Ligand: EDO × 1 1,2-Ethanediol PDB code: 6k3e(A).
		3. Ligand: MLA × 1 Malonic acid PDB code: 6k3e(A).

Cluster 5 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 6 glycerin Glycerol PDB codes: 6kgo(A), 6kgp(A), 7vqs(A), 7vqt(A), 7vqu(A), 7w3l(A).
		2. Ligand: PEG × 1 Di(hydroxyethyl)ether PDB code: 6k3e(A).

Cluster 6 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 30 glycerin Glycerol PDB codes: 2iw5(A), 2uxn(A), 2uxx(A), 4kum(A), 4xbf(A), 5h6q(A), 5h6r(A), 5lhg(A), 5lhh(A), 5lhi(A), 5x60(A), 5yjb(A), 6kgk(A), 6kgl(A), 6kgm(A), 6kgn(A), 6kgo(A), 6kgp(A), 6te1(A), 7cdc(A), 7cdd(A), 7cde(A), 7cdf(A), 7cdg(A), 7e0g(A), 7vqs(A), 7vqt(A), 7vqu(A), 7w3l(A), 7xw8(A).
		2. Ligand: ACT × 1 Acetate ion PDB code: 6k3e(A).