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Inhibitor Report for: HuperzineB

General
Type Derivative of Huperzine, Natural, Alkaloid
Chemical_Nomenclature 4aR,5R,10bR)-1,2,3,4,4a,5,6,10b-octahydro-12-methyl-5,10bpropeno-1,7-phenantrolin-8(7H)-one
Canonical SMILES CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4
InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19) InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12-,16-/m1/s1 InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12-,16+/m1/s1
InChIKey YYWGABLTRMRUIT-UHFFFAOYSA-N YYWGABLTRMRUIT-XHBSWPGZSA-N YYWGABLTRMRUIT-HSMVNMDESA-N
Other name(s) Huperzine b ; Lycodin-1(18H)-one, 8,15-didehydro- ; HUB
________________________________________________________________________________________________
MW|256.343
Formula|C16H20N2O
CAS_number|103548-82-9
PubChem|6916252, 5462442, 3631, 159280
UniChem|YYWGABLTRMRUIT-UHFFFAOYSA-N, YYWGABLTRMRUIT-XHBSWPGZSA-N, YYWGABLTRMRUIT-HSMVNMDESA-N
IUPHAR|
Wikipedia|

Target
Families | HuperzineB ligand of proteins in family: ACHE
Stucture | 1 structure: 1GPN: Acetylcholinesterase complexed with Huperzine B at 2.35 A resolution
Protein | torca-ACHE

References:
Search PubMed for references concerning: HuperzineB
    Title: X-ray Structures of Torpedo californica Acetylcholinesterase Complexed with (+)-Huperzine A and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement
    Dvir H, Jiang H, Wong DM, Harel M, Chetrit M, He XC, Jin GY, Yu GL, Tang XC and Sussman JL <2 more author(s)>
    Ref: Biochemistry, 41:10810, 2002 : PubMed