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- ChemComp-RIM: RIMANTADINE -

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Basic information

EntryDatabase: PDB chemical components / ID: RIM
NameName: rimantadine / Synonyms: 1-(1-ADAMANTYL)ETHANAMINE
Commentantivirus*YM

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Chemical information

Composition
Formula: C12H21N / Number of atoms: 34 / Formula weight: 179.302 / Formal charge: 0
Others

2rlf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RIM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2RLF
History
Create componentJul 19, 2007
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Nikkaji / 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 10.04NC(C)C13CC2CC(CC(C1)C2)C3
CACTVS 3.341C[CH](N)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 1.5.0CC(C12CC3CC(C1)CC(C3)C2)N

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SMILES CANONICAL

CACTVS 3.341C[C@@H](N)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 1.5.0C[C@H](C12CC3CC(C1)CC(C3)C2)N

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InChI

InChI 1.03InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1

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InChIKey

InChI 1.03UBCHPRBFMUDMNC-RMPHRYRLSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanamine
OpenEye OEToolkits 1.5.0(1R)-1-(1-adamantyl)ethanamine

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PDB entries

Showing all 5 items

PDB-2ljc:
Structure of the influenza AM2-BM2 chimeric channel bound to rimantadine

PDB-2rlf:
Proton Channel M2 from Influenza A in complex with inhibitor rimantadine

PDB-6bkl:
Influenza A M2 transmembrane domain bound to rimantadine

PDB-6boc:
Influenza A M2 transmembrane domain bound to rimantadine in the Inward(open) conformation

PDB-6us9:
Influenza A M2 proton channel wild type TM domain bound to R-rimantadine

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