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- ChemComp-XM0: INDAN-2-AMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: XM0
NameName: indan-2-amine

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Chemical information

Composition
Formula: C9H11N / Number of atoms: 21 / Formula weight: 133.19 / Formal charge: 0
Others

5ak3

Type: non-polymer / PDB classification: HETAIN / Three letter code: XM0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AK3
History
Create componentMar 2, 2015
Initial releaseMay 13, 2015
External linksUniChem / ChemSpider / Brenda / ChEMBL / CompTox / HMDB / 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

CACTVS 3.385NC1Cc2ccccc2C1
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(C2)N

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SMILES CANONICAL

CACTVS 3.385NC1Cc2ccccc2C1
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CC(C2)N

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InChI

InChI 1.03InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2

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InChIKey

InChI 1.03LMHHFZAXSANGGM-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.7.62,3-dihydro-1H-inden-2-amine

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PDB entries

Showing all 3 items

PDB-5ak3:
ligand complex structure of soluble epoxide hydrolase

PDB-6b3l:
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2,3-dihydro-1H-inden-2-amine

PDB-7wpt:
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment M2-80 and ATP

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