Covpdb









Ligand
Ligand Name:   1,2-Epoxyoctane
Ligand Type:   non-polymer
Ligand ID:   COVPDB354 PubChem:   1620685
Synonym(s):  
  •   (2s)-2-hexyloxirane
  • 50418-68-3
  • 2beta-hexyloxirane
  • (s)-1,2-epoxyoctane
  • oxirane,2-hexyl-,(2s)-
  • schembl2065330
  • oxirane, 2-hexyl-, (2s)-
  • (2s)-(-)-1,2-epoxyoctane
  • zinc1866967
  • mfcd00270134
  • (s)-(-)-1,2-epoxyoctane, >=98.0% (sum of enantiomers, gc)
show 10 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCC[C@H]1CO1
Standard InChI:   InChI=1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3/t8-/m0/s1
Molecular Formula:   C8H16O Mol. Weight:   128.12012 logP:   2.3556
HBD:   0 HBA:   1
#Rotatable Bonds:   5 TPSA:   12.53

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Putative hydrolase A0A0H2ZD27 (A0A0H2ZD27_PSEAB) Pseudomonas aeruginosa (strain UCBPP-PA14) 5TNM 7F2
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SHOW
Putative hydrolase A0A0H2ZD27 (A0A0H2ZD27_PSEAB) Pseudomonas aeruginosa (strain UCBPP-PA14) 5TNN 7F2
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SHOW
Putative hydrolase A0A0H2ZD27 (A0A0H2ZD27_PSEAB) Pseudomonas aeruginosa (strain UCBPP-PA14) 5TNK 7F2
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SHOW