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Inhibitor Report for: 16-epi-Vellosimine

product of hydrolysis of Polyneuridine aldehyde by Polyneuridine-aldehyde esterase


General
Type Alkaloid
Chemical_Nomenclature 16-epi-Vellosimine
Canonical SMILES CCC1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)C(=O)O
InChI InChI=1S/C19H22N2O2/c1-2-10-9-21-15-8-13-11-5-3-4-6-14(11)20-18(13)16(21)7-12(10)17(15)19(22)23/h3-6,10,12,15-17,20H,2,7-9H2,1H3,(H,22,23)/t10?,12-,15-,16-,17-/m0/s1
InChIKey GXPDJZPKLCZSLD-MZXXMQOISA-N
Other name(s) EVS
________________________________________________________________________________________________
MW|310.39
Formula|C19H22N2O2
CAS_number|
PubChem|44144387
UniChem|GXPDJZPKLCZSLD-MZXXMQOISA-N
IUPHAR|
Wikipedia|

Target
Families | 16-epi-Vellosimine ligand of proteins in family: Hydroxynitrile_lyase
Stucture | 1 structure: 3GZJ: Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine
Protein | rause-pnae

References:
Search PubMed for references concerning: 16-epi-Vellosimine
    Title: Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids
    Yang L, Hill M, Wang M, Panjikar S, Stockigt J
    Ref: Angew Chem Int Ed Engl, 48:5211, 2009 : PubMed