Ligand clusters for UniProt code P29475

Ligand clusters for P29475: Nitric oxide synthase, brain from Homo sapiens

		Top 6 (of 9) ligand clusters Cluster 1. 77 ligand types 224 ligands Cluster 2. 18 ligand types 88 ligands Cluster 3. 2 ligand types 2 ligands Cluster 4. 1 ligand type 12 ligands Cluster 5. 1 ligand type 1 ligand Cluster 6. 1 ligand type 31 ligands
Representative protein: 6cicA

Structures

PDB		Schematic diagram
6cicA
5uo6A
5vuzA
4uchA
6ngbA
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Cluster 1 contains 77 ligand types (of which only 20 are listed. Click for all)

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Ligand		Description
		1. Ligand: H4B × 70 sapropterin 5,6,7,8-Tetrahydrobiopterin PDB codes: 4d1n(A), 4uch(A), 4uh5(A), 4uh6(A), 4v3u(A), 5adf(A), 5adg(A), 5adi(A), 5fvu(A), 5fvv(A), 5fvw(A), 5fvx(A), 5uo1(A), 5uo2(A), 5uo3(A), 5uo4(A), 5uo5(A), 5uo6(A), 5uo7(A), 5vuv(A), 5vuw(A), 5vux(A), 5vuy(A), 5vuz(A), 5vv0(A), 5vv1(A), 5vv2(A), 5vv3(A), 5vv4(A), 5vv5(A), 6auy(A), 6auz(A), 6av0(A), 6av1(A), 6av2(A), 6av3(A), 6av4(A), 6av5(A), 6cic(A), 6cid(A), 6ng1(A), 6ng2(A), 6ng4(A), 6ng5(A), 6ng6(A), 6ng7(A), 6ng8(A), 6nga(A), 6ngb(A), 6ngc(A), 6ngd(A), 6nge(A), 6ngf(A), 6ngh(A), 6ngi(A), 6nhb(A), 6nhc(A), 6pna(A), 6pnb(A), 6pnc(A), 6pnd(A), 6pne(A), 6pnf(A), 6po5(A), 6po7(A), 6po8(A), 6po9(A), 6poa(A), 6pob(A), 6pot(A).
		2. Ligand: GOL × 2 glycerin Glycerol PDB codes: 6cid(A), 6ngd(A).
		3. Ligand: HEM × 73 Protoporphyrin IX containing fe PDB codes: 4d1n(A), 4uch(A), 4uh5(A), 4uh6(A), 4v3u(A), 5adf(A), 5adg(A), 5adi(A), 5fvu(A), 5fvv(A), 5fvw(A), 5fvx(A), 5uo1(A), 5uo2(A), 5uo3(A), 5uo4(A), 5uo5(A), 5uo6(A), 5uo7(A), 5vuv(A), 5vuw(A), 5vux(A), 5vuy(A), 5vuz(A), 5vv0(A), 5vv1(A), 5vv2(A), 5vv3(A), 5vv4(A), 5vv5(A), 6auy(A), 6auz(A), 6av0(A), 6av1(A), 6av2(A), 6av3(A), 6av4(A), 6av5(A), 6cic(A), 6cid(A), 6ng1(A), 6ng2(A), 6ng4(A), 6ng5(A), 6ng6(A), 6ng7(A), 6ng8(A), 6nga(A), 6ngb(A), 6ngc(A), 6ngd(A), 6nge(A), 6ngf(A), 6ngh(A), 6ngi(A), 6nhb(A), 6nhc(A), 6pna(A), 6pnb(A), 6pnc(A), 6pnd(A), 6pne(A), 6pnf(A), 6png(A), 6pnh(A), 6po5(A), 6po7(A), 6po8(A), 6po9(A), 6poa(A), 6pob(A), 6poc(A), 6pot(A).
		4. Ligand: 8FD × 2 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2s)-2- (Methylamino)propyl]benzonitrile PDB codes: 5uo5(A), 5uo7(A).
		5. Ligand: M4R × 2 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[(2r)-2- (Methylamino)propyl]benzonitrile PDB codes: 5uo5(A), 5uo6(A).
		6. Ligand: OSD × 2 7-{3-(Aminomethyl)-4-[(Propan-2-Yl)oxy]phenyl}-4- Methylquinolin-2-Amine PDB codes: 6pnh(A),
		7. Ligand: OSG × 2 7-[3-(Aminomethyl)-4-Propoxyphenyl]-4-Methylquinolin-2- Amine PDB codes: 6png(A),
		8. Ligand: OU4 × 2 7-{3-(Aminomethyl)-4-[(1,3-Oxazol-4-Yl)methoxy]phenyl}- 4-Methylquinolin-2-Amine PDB codes: 6poc(A),
		9. Ligand: 2SN × 1 7-[[[3-[(Dimethylamino)methyl]phenyl]amino] methyl]quinolin-2-Amine PDB code: 5adf(A).
		10. Ligand: 7R2 × 1 N-(1-{2-[Ethyl(methyl)amino]ethyl}-1,2,3,4- Tetrahydroquinolin-6-Yl)thiophene-2-Carboximidamide PDB code: 6cic(A).
		11. Ligand: 8EV × 1 3-[(2-Aminoquinolin-7-Yl)methoxy]-5-[(Methylamino) methyl]benzonitrile PDB code: 5uo1(A).
		12. Ligand: 8EY × 1 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5- [(Methylamino)methyl]benzonitrile PDB code: 5uo3(A).
		13. Ligand: 8F1 × 1 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5-[2- (Methylamino)ethyl]benzonitrile PDB code: 5uo4(A).
		14. Ligand: 8J4 × 1 7-({3-Ethyl-5-[(Methylamino)methyl]phenoxy}methyl) quinolin-2-Amine PDB code: 5uo2(A).
		15. Ligand: 9OJ × 1 4-(2-{[(2-Amino-4-Methylquinolin-7-Yl) methyl]amino}ethyl)-2-Methylbenzonitrile PDB code: 5vv5(A).
		16. Ligand: 9OM × 1 7-({[3-(4-Methylpyridin-3-Yl)propyl]amino}methyl) quinolin-2-Amine PDB code: 5vv0(A).
		17. Ligand: 9OS × 1 7-({[3-(4-Methoxypyridin-3-Yl)propyl]amino}methyl) quinolin-2-Amine PDB code: 5vv1(A).
		18. Ligand: 9P1 × 1 7-[({[4-(Dimethylamino)phenyl]methyl}amino) methyl]quinolin-2-Amine PDB code: 5vux(A).
		19. Ligand: 9P4 × 1 7-({[3-(5-Fluoropyridin-3-Yl)propyl]amino}methyl) quinolin-2-Amine PDB code: 5vv2(A).
		20. Ligand: 9P7 × 1 4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)-2- Methylbenzonitrile PDB code: 5vv4(A).
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Cluster 2 contains 18 ligand types

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Ligand		Description
		1. Ligand: H4B × 70 sapropterin 5,6,7,8-Tetrahydrobiopterin PDB codes: 4d1n(A), 4uch(A), 4uh5(A), 4uh6(A), 4v3u(A), 5adf(A), 5adg(A), 5adi(A), 5fvu(A), 5fvv(A), 5fvw(A), 5fvx(A), 5uo1(A), 5uo2(A), 5uo3(A), 5uo4(A), 5uo5(A), 5uo6(A), 5uo7(A), 5vuv(A), 5vuw(A), 5vux(A), 5vuy(A), 5vuz(A), 5vv0(A), 5vv1(A), 5vv2(A), 5vv3(A), 5vv4(A), 5vv5(A), 6auy(A), 6auz(A), 6av0(A), 6av1(A), 6av2(A), 6av3(A), 6av4(A), 6av5(A), 6cic(A), 6cid(A), 6ng1(A), 6ng2(A), 6ng4(A), 6ng5(A), 6ng6(A), 6ng7(A), 6ng8(A), 6nga(A), 6ngb(A), 6ngc(A), 6ngd(A), 6nge(A), 6ngf(A), 6ngh(A), 6ngi(A), 6nhb(A), 6nhc(A), 6pna(A), 6pnb(A), 6pnc(A), 6pnd(A), 6pne(A), 6pnf(A), 6po5(A), 6po7(A), 6po8(A), 6po9(A), 6poa(A), 6pob(A), 6pot(A).
		2. Ligand: OUS × 2 7-{3-(Aminomethyl)-4-[(Pyridin-3-Yl)methoxy]phenyl}-4- Methylquinolin-2-Amine PDB codes: 6poa(A),
		3. Ligand: 9OJ × 1 4-(2-{[(2-Amino-4-Methylquinolin-7-Yl) methyl]amino}ethyl)-2-Methylbenzonitrile PDB code: 5vv5(A).
		4. Ligand: 9OM × 1 7-({[3-(4-Methylpyridin-3-Yl)propyl]amino}methyl) quinolin-2-Amine PDB code: 5vv0(A).
		5. Ligand: 9OS × 1 7-({[3-(4-Methoxypyridin-3-Yl)propyl]amino}methyl) quinolin-2-Amine PDB code: 5vv1(A).
		6. Ligand: 9P1 × 1 7-[({[4-(Dimethylamino)phenyl]methyl}amino) methyl]quinolin-2-Amine PDB code: 5vux(A).
		7. Ligand: 9P4 × 1 7-({[3-(5-Fluoropyridin-3-Yl)propyl]amino}methyl) quinolin-2-Amine PDB code: 5vv2(A).
		8. Ligand: 9P7 × 1 4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)-2- Methylbenzonitrile PDB code: 5vv4(A).
		9. Ligand: EG8 × 1 N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl] ethyl}-3-(Pyridin-3-Yl)propan-1-Amine PDB code: 4v3u(A).
		10. Ligand: OS7 × 1 7-{3-(Aminomethyl)-4-[(Pyridin-2-Yl)methoxy]phenyl}-4- Methylquinolin-2-Amine PDB code: 6po9(A).
		11. Ligand: OSD × 1 7-{3-(Aminomethyl)-4-[(Propan-2-Yl)oxy]phenyl}-4- Methylquinolin-2-Amine PDB code: 6pnh(A).
		12. Ligand: OSG × 1 7-[3-(Aminomethyl)-4-Propoxyphenyl]-4-Methylquinolin-2- Amine PDB code: 6png(A).
		13. Ligand: OU4 × 1 7-{3-(Aminomethyl)-4-[(1,3-Oxazol-4-Yl)methoxy]phenyl}- 4-Methylquinolin-2-Amine PDB code: 6poc(A).
		14. Ligand: OUJ × 1 7-{3-(Aminomethyl)-4-[(1,3-Thiazol-4-Yl) methoxy]phenyl}-4-Methylquinolin-2-Amine PDB code: 6pob(A).
		15. Ligand: OUM × 1 4-{[2-(Aminomethyl)-4-(2-Amino-4-Methylquinolin-7-Yl) phenoxy]methyl}benzonitrile PDB code: 6po8(A).
		16. Ligand: P64 × 1 7-[({2-[4-(Dimethylamino)phenyl]ethyl}amino) methyl]quinolin-2-Amine PDB code: 5vuy(A).
		17. Ligand: P94 × 1 4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl) benzonitrile PDB code: 5vv3(A).
		18. Ligand: XH8 × 1 7-(((3-(Pyridin-3-Yl)propyl)amino)methyl)quinolin-2- PDB code: 5vuz(A).

Cluster 3 contains 2 ligand types

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5uo4(A).
		2. Ligand: 8EY × 1 3-[(2-Amino-4-Methylquinolin-7-Yl)methoxy]-5- [(Methylamino)methyl]benzonitrile PDB code: 5uo3(A).

Cluster 4 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 12 glycerin Glycerol PDB codes: 4d1n(A), 4v3u(A), 6ngd(A), 6ngi(A), 6nhb(A), 6nhc(A), 6po5(A), 6po7(A), 6po9(A), 6pob(A), 6poc(A), 6pot(A).

Cluster 5 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5adg(A).

Cluster 6 contains 1 ligand type

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Ligand		Description
		1. Ligand: GOL × 31 glycerin Glycerol PDB codes: 5uo1(A), 5uo2(A), 5uo4(A), 5uo6(A), 5vv3(A), 6auy(A), 6av4(A), 6cic(A), 6ng4(A), 6ng5(A), 6ng6(A), 6ngd(A), 6nge(A), 6ngf(A), 6ngh(A), 6ngi(A), 6nhb(A), 6nhc(A), 6pna(A), 6pnb(A), 6pne(A), 6po5(A), 6po7(A), 6po9(A), 6pob(A), 6poc(A), 6pot(A).