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- ChemComp-GNT: (-)-GALANTHAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: GNT
NameName: (-)-galanthamine

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Chemical information

Composition
Formula: C17H21NO3 / Number of atoms: 42 / Formula weight: 287.354 / Formal charge: 0
Others

1dx6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GNT / Model coordinates PDB-ID: 1DX6
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)C
CACTVS 3.341COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c24
OpenEye OEToolkits 1.5.0CN1CCC23C=CC(CC2Oc4c3c(ccc4OC)C1)O

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SMILES CANONICAL

CACTVS 3.341COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
OpenEye OEToolkits 1.5.0C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O

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InChI

InChI 1.03InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

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InChIKey

InChI 1.03ASUTZQLVASHGKV-JDFRZJQESA-N

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SYSTEMATIC NAME

ACDLabs 10.04galanthamine

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PDB entries

Showing all 6 items

PDB-1dx6:
STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION

PDB-1qti:
Acetylcholinesterase (E.C.3.1.1.7)

PDB-1w6r:
Complex of TcAChE with galanthamine derivative

PDB-1w76:
Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative

PDB-2ph9:
Galanthamine bound to an ACh-binding Protein

PDB-4ey6:
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine

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