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Inhibitor Report for: 1,2-Octanediol

General
Type
Chemical_Nomenclature (2R)-octane-1,2-diol
Canonical SMILES CCCCCCC(CO)O
InChI InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKey AEIJTFQOBWATKX-MRVPVSSYSA-N AEIJTFQOBWATKX-QMMMGPOBSA-N AEIJTFQOBWATKX-UHFFFAOYSA-N
Other name(s) (2R)-octane-1,2-diol ; (R)-(+)-1,2-Octanediol ; (R)-1,2-octanediol ; 7F2 ; AC1ODVSI ; (2S)-octane-1,2-diol ; (S)-1,2-OCTANEDIOL ; (S)-(-)-1,2-Octanediol ; 87720-91-0 ; J-640384 ; AC1OE5RZ ; 1,2-OCTANEDIOL ; 1117-86-8 ; Octane-1,2-diol ; 1,2-Dihydroxyoctane ; 1,2-Octylene glycol ; Capyryl Glycol
________________________________________________________________________________________________
MW|146.23
Formula|C8H18O2
CAS_number|87720-90-9
PubChem|6994435, 6999933, 14231
UniChem|AEIJTFQOBWATKX-MRVPVSSYSA-N, AEIJTFQOBWATKX-QMMMGPOBSA-N, AEIJTFQOBWATKX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 1,2-Octanediol ligand of proteins in family: CFTR-inhibitory-factor_Cif
Stucture | 3 structures: 5TNK, 5TNM, 5TNN
Protein | pseae-PA2934

References:
Search PubMed for references concerning: 1,2-Octanediol
    Title: Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase
    Hvorecny KL, Bahl CD, Kitamura S, Lee KSS, Hammock BD, Morisseau C, Madden DR
    Ref: Structure, 25:697, 2017 : PubMed