Ligand
Ligand Name:   {[(1S,2S,3R,5S)-5-carboxy-1,2,3-trihydroxycyclohexyl]methyl}(hydroxy)azanium
Ligand Type:   non-polymer
Ligand ID:   COVPDB816 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[NH2+]C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
Standard InChI:   InChI=1S/C8H15NO6/c10-5-1-4(7(12)13)2-8(14,3-9-15)6(5)11/h4-6,9-11,14-15H,1-3H2,(H,12,13)/p+1/t4-,5+,6-,8-/m0/s1
Molecular Formula:   C8H16NO6+ Mol. Weight:   222.09721 logP:   -3.1135
HBD:   6 HBA:   5
#Rotatable Bonds:   3 TPSA:   134.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
3-dehydroquinate dehydratase P24670 (AROD_SALTI) Salmonella typhi 6SFG FSQ
-
-
SHOW
3-dehydroquinate dehydratase P24670 (AROD_SALTI) Salmonella typhi 6H5C FSQ
-
-
SHOW