Ligand |
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Ligand Name: 2,3-difluoro-N-acetylneuramic acid | ||
Ligand Type: saccharide | ||
Ligand ID: COVPDB814 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC(=O)N[C@H]1[C@H](O)[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)[C@@H](O)CO)C(O)=O | ||
Standard InChI: InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6+,7-,8+,9+,11+/m0/s1 | ||
Molecular Formula: C11H17F2NO8 | Mol. Weight: 329.09222 | logP: -2.9466 |
HBD: 6 | HBA: 7 | |
#Rotatable Bonds: 5 | TPSA: 156.55 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Sialidase | A0A0B7LH44 (A0A0B7LH44_STREE) | Streptococcus pneumoniae | 5F9T | FSI |
- |
- |
SHOW |
Hemagglutinin-neuraminidase | Q6WJ03 (Q6WJ03_9MONO) | Human respirovirus 3 | 4WEF | FSI |
- |
- |
SHOW |
Trans-sialidase | Q26966 (Q26966_TRYCR) | Trypanosoma cruzi | 2AH2 | FSI |
- |
- |
SHOW |
Neuraminidase | P03472 (NRAM_I75A5) | Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9) | 4WEG | FSI |
- |
- |
SHOW |
Exo-alpha-sialidase | Q59310 (Q59310_CLOPF) | Clostridium perfringens | 2VK7 | FSI |
- |
- |
SHOW |
Neuraminidase | Q194T1 (Q194T1_9INFA) | Influenza A virus (A/RI/5+/1957(H2N2)) | 4H52 | FSI |
- |
- |
SHOW |
Sialidase | O44049 (O44049_TRYRA) | Trypanosoma rangeli | 2FHR | FSI |
- |
- |
SHOW |
Sialidase | O44049 (O44049_TRYRA) | Trypanosoma rangeli | 2A75 | FSI |
- |
- |
SHOW |