Ligand
Ligand Name:   [(1S,2S,3R,5S)-5-carboxy-1,2,3-trihydroxycyclohexyl]methanaminium
Ligand Type:   non-polymer
Ligand ID:   COVPDB1054 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [NH3+]C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
Standard InChI:   InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/p+1/t4-,5+,6-,8-/m0/s1
Molecular Formula:   C8H16NO5+ Mol. Weight:   206.1023 logP:   -2.8242
HBD:   5 HBA:   4
#Rotatable Bonds:   2 TPSA:   125.63

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 6SFE L9Z
-
-
SHOW
3-dehydroquinate dehydratase Q2YWJ9 (AROD_STAAB) Staphylococcus aureus (strain bovine RF122 / ET3-1) 6SFH L9Z
-
-
SHOW