Ligand
Ligand Name:   (3S,7R,8S)-7,8-dihydroxy-1-oxaspiro[2.5]octane-5-carboxylic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB810 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O[C@@H]1C[C@H](C[C@]2(CO2)[C@H]1O)C(O)=O
Standard InChI:   InChI=1S/C8H12O5/c9-5-1-4(7(11)12)2-8(3-13-8)6(5)10/h4-6,9-10H,1-3H2,(H,11,12)/t4-,5-,6+,8+/m1/s1
Molecular Formula:   C8H12O5 Mol. Weight:   188.06847 logP:   -1.0282
HBD:   3 HBA:   4
#Rotatable Bonds:   1 TPSA:   90.29

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 FQZ
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-
SHOW
3-dehydroquinate dehydratase P24670 (AROD_SALTI) Salmonella typhi 6H5G FQZ
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-
SHOW