Ligand clusters for UniProt code Q13231

Ligand clusters for Q13231: Chitotriosidase-1 from Homo sapiens

		Top 6 (of 22) ligand clusters Cluster 1. 16 ligand types 35 ligands Cluster 2. 2 ligand types 3 ligands Cluster 3. 2 ligand types 3 ligands Cluster 4. 2 ligand types 2 ligands Cluster 5. 1 ligand type 2 ligands Cluster 6. 1 ligand type 1 ligand
Representative protein: 5hbfA

Structures

PDB		Schematic diagram
5hbfA
4wkhA
5nr8A
5nraA
4wkaA
		more ...

Cluster 1 contains 16 ligand types

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: GOL × 8 glycerin Glycerol PDB codes: 1waw(A), 5hbf(A), 5nr8(A), 5nra(A), 5nrf(A).
		2. Ligand: ALI × 2 Methyl n-Acetyl allosamine PDB codes: 1hki(A), 1hkm(A).
		3. Ligand: AMI × 3 Allosamizoline PDB codes: 1hkj(A), 1hkk(A),
		4. Ligand: EDO × 4 1,2-Ethanediol PDB codes: 1lg2(A),
		5. Ligand: NAG-NAG × 4 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose. PDB codes: 1lg1(A), 4wk9(A), 4wkf(A), 4wkh(A).
		6. Ligand: NAA-NAA × 3 NAA=2-Acetamido-2-Deoxy-Beta-D-Allopyranose. PDB codes: 1hkk(A), 1hkm(A).
		7. Ligand: BV0 × 2 6-Azanyl-11-Methyl-2-Oxidanylidene-7-[[(2r)-Oxolan-2- Yl]methyl]-N-(Pyridin-3-Ylmethyl)-1,9-Diaza- 7- Azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11, 13-Hexaene-5-Carboxamide PDB codes: 6jk6(A),
		8. Ligand: 0AR-DPR-HSE-HIS-UN1 × 1 0AR=N-[N-[(4s)-4-Azanyl-5-Hydroxy-5-Oxo- Pentyl]carbamimidoyl]ethanamide, DPR=D-Proline, HSE=L-Homoserine, UN1=2-Aminohexanedioic acid. PDB code: 1waw(A).
		9. Ligand: 95K × 1 1-(5-Azanyl-4~{h}-1,2,4-Triazol-3-Yl)-~{N}-[2-(4- Bromophenyl)ethyl]-~{N}-(2- Methylpropyl)piperidin-4- Amine PDB code: 5nra(A).
		10. Ligand: 95N × 1 1-(3-Azanyl-1~{h}-1,2,4-Triazol-5-Yl)-~{N}-[2-(4- Bromophenyl)ethyl]-~{N}-Methyl-Piperidin-4-Amine PDB code: 5nr8(A).
		11. Ligand: 95Q × 1 1-(3-Azanyl-1~{h}-1,2,4-Triazol-5-Yl)-~{N}-[2-(4- Chlorophenyl)ethyl]-~{N}-(Phenylmethyl)piperidin- 4- Amine PDB code: 5nrf(A).
		12. Ligand: BU0 × 1 6-Azanyl-2-Oxidanylidene-N-[(1s)-1-Phenylethyl]-7- (Phenylmethyl)-1l^{4},9-Diaza-7- Azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6, 10,12-Hexaene-5-Carboxamide PDB code: 6jjr(A).
		13. Ligand: NAA-NA1 × 1 NAA=2-Acetamido-2-Deoxy-Beta-D-Allopyranose, NA1=2-Acetamido-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose. PDB code: 1hkj(A).
		14. Ligand: NAG-NA1 × 1 NAG=2-Acetamido-2-Deoxy-Beta-D-Glucopyranose, NA1=2-Acetamido-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose. PDB code: 1hki(A).
		15. Ligand: QGB × 1 5-(4-((2s,5s)-5-(4-Chlorobenzyl)-2-Methylmorpholino) piperidin-1-Yl)-4h-1,2,4-Triazol-3-Amine PDB code: 6ze8(A).
		16. Ligand: VR0-MEA-IAS-IAS-DAL × 1 VR0=N~5~-[N-(Methylcarbamoyl)carbamimidoyl]-L-Ornithine, MEA=N-Methylphenylalanine, IAS=L-Aspartic acid, DAL=D-Alanine. PDB code: 1wb0(A).

Cluster 2 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: EDO × 1 1,2-Ethanediol PDB code: 1guv(A).
		2. Ligand: TLA × 2 L(+)-Tartaric acid PDB codes: 4wjx(A), 4wka(A).

Cluster 3 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1wb0(A).
		2. Ligand: EDO × 2 1,2-Ethanediol PDB codes: 1guv(A),

Cluster 4 contains 2 ligand types

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 5hbf(A).
		2. Ligand: IPA × 1 isopropyl alcohol Isopropyl alcohol PDB code: 1wb0(A).

Cluster 5 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: TLA × 2 L(+)-Tartaric acid PDB codes: 4wjx(A), 4wka(A).

Cluster 6 contains 1 ligand type

Selection shortcuts: select all/none invert selection.
Ligand		Description
		1. Ligand: GOL × 1 glycerin Glycerol PDB code: 1waw(A).