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- ChemComp-RSA: N-PROPARGYL-1(S)-AMINOINDAN -

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Basic information

EntryDatabase: PDB chemical components / ID: RSA
NameName: N-propargyl-1(S)-aminoindan

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Chemical information

Composition
Formula: C12H13N / Number of atoms: 26 / Formula weight: 171.238 / Formal charge: 0
Others

1s2y

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RSA / Model coordinates PDB-ID: 1S2Y
History
Create componentJan 22, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04C#CCNC2c1ccccc1CC2
CACTVS 3.341C#CCN[CH]1CCc2ccccc12
OpenEye OEToolkits 1.5.0C#CCNC1CCc2c1cccc2

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SMILES CANONICAL

CACTVS 3.341C#CCN[C@H]1CCc2ccccc12
OpenEye OEToolkits 1.5.0C#CCN[C@H]1CCc2c1cccc2

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InChI

InChI 1.03InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1

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InChIKey

InChI 1.03RUOKEQAAGRXIBM-LBPRGKRZSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1S)-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine
OpenEye OEToolkits 1.5.0(1S)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

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PDB entries

Showing all 5 items

PDB-1s2y:
Crystal structure of MAOB in complex with N-propargyl-1(S)-aminoindan

PDB-2c72:
Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins

PDB-2c73:
Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins

PDB-2c75:
Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins

PDB-2c76:
Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins

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