Ligand
Ligand Name:   4-OXO-SIALIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB1136 PubChem:   71737814
Synonym(s):  
  •   n-acetyl-4-oxo-4-deoxy-alpha-neuraminic acid
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)N[C@H]1[C@@H](O[C@](O)(CC1=O)C(O)=O)[C@H](O)[C@H](O)CO
Standard InChI:   InChI=1S/C11H17NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h6-9,13,16-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t6-,7-,8-,9-,11-/m1/s1
Molecular Formula:   C11H17NO9 Mol. Weight:   307.09033 logP:   -3.6636
HBD:   6 HBA:   8
#Rotatable Bonds:   5 TPSA:   173.62

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
N-acetylneuraminate lyase P44539 (NANA_HAEIN) Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) 1F7B NAV Ki : 25000 nM PDBBind SHOW
N-acetylneuraminate lyase P44539 (NANA_HAEIN) Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) 1F7B NAU
-
-
SHOW