Covpdb









Ligand
Ligand Name:   conduritol-beta-epoxide
Ligand Type:   non-polymer
Ligand ID:   COVPDB627 PubChem:   119054
Synonym(s):  
  •   conduritol b epoxide
  • 6090-95-5
  • 1,2-anhydro-myo-inositol
  • (1r,2r,3s,4s,5r,6s)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
  • chembl291020
  • 1-d-1,2-anhydro-myo-inositol
  • chebi:67233
  • (1r,2r,3s,4s,5r,6s)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetraol
  • conduritol b-epoxide
  • myo-inositol, 1,2-anhydro-
  • conduritol b epoxidecbe
  • 1d-conduritol b epoxide
  • conduritol b epoxide, 2
  • 1,2-anhydro-d-myo-inositol
  • 1,2-anhydro-myo-inositol nist
  • dtxsid1044069
  • schembl14973473
  • hms2090l20
  • amy19522
  • ex-a2299
  • (1s,2r,3s,4s,5r,6r)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
  • bdbm50078114
  • zinc17995199
  • cs-6107
  • as-57318
  • hy-100944
  • sr-05000001525
  • sr-05000001525-1
  • q27135706
  • unii-nhm754q310 component zhmwovgzcinihw-ftyoscrssa-n
  • ((1r,2r,3s,4s,5r,6s)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
  • (+)-(1r,2r,3s,4s,5r,6s)-2,3,4,5-tetraol-7-oxabicyclo[4.1.0]heptane
  • (1r,2r,3s,4s,5r,6s)-2,3,4,5-tetraol-7-oxabicyclo[4.1.0]heptane
  • (1s,2r,3s,4s,5r,6r)-7-oxa-bicyclo[4.1.0]heptane-2,3,4,5-tetraol
  • 133319-97-8
show 34 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL291020
Canonical SMILES:   [C@@H]12[C@H](O2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Standard InChI:   InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
Molecular Formula:   C6H10O5 Mol. Weight:   162.05283 logP:   -2.789
HBD:   4 HBA:   5
#Rotatable Bonds:   0 TPSA:   93.45

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Lysosomal acid glucosylceramidase P04062 (GLCM_HUMAN) Homo sapiens (Human) 1Y7V INS
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SHOW
Lysosomal acid glucosylceramidase P04062 (GLCM_HUMAN) Homo sapiens (Human) 2VT0 CBU
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SHOW