Ligand |
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Ligand Name: 5-fluoro-N-acetyl-alpha-D-glucosamine | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB50 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)N[C@H]([C@@H](O)[C@@H]1O)[C@H](O)O[C@]1(F)CO | ||
Standard InChI: InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7-,8-/m1/s1 | ||
Molecular Formula: C8H14FNO6 | Mol. Weight: 239.08052 | logP: -2.7804 |
HBD: 5 | HBA: 6 | |
#Rotatable Bonds: 2 | TPSA: 119.25 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-hexosaminidase | Q8ZQ06 (NAGZ_SALTY) | Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) | 4GVH | 0XY |
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SHOW |