Ligand
Ligand Name:   3a,4,7,7a-tetrahydro-benzo[1,3]dioxol-2-one
Ligand Type:   non-polymer
Ligand ID:   COVPDB548 PubChem:   90724265
Synonym(s):  
  •   zinc17163557
  • (3as)-3aalpha,4,7,7aalpha-tetrahydro-1,3-benzodioxole-2-one
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C(O1)O[C@@H]([C@@H]12)CC=CC2
Standard InChI:   InChI=1S/C7H8O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-6H,3-4H2/t5-,6+
Molecular Formula:   C7H8O3 Mol. Weight:   140.04735 logP:   1.2404
HBD:   0 HBA:   3
#Rotatable Bonds:   0 TPSA:   35.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Co-factor free haloperoxidase Q8GJP7 (Q8GJP7_9MICO) uncultured Microbacterium sp. 1HL7 BD1
-
-
SHOW