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- ChemComp-S7G: ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: S7G
NameName: ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide

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Chemical information

Composition
Formula: C11H14N2O / Number of atoms: 28 / Formula weight: 190.242 / Formal charge: 0
Others

5r8a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S7G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R8A
History
Create componentMar 5, 2020
Initial releaseApr 22, 2020
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

CACTVS 3.385CC(=O)N[CH]1CNc2ccccc2C1
OpenEye OEToolkits 2.0.6CC(=O)NC1Cc2ccccc2NC1

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SMILES CANONICAL

CACTVS 3.385CC(=O)N[C@H]1CNc2ccccc2C1
OpenEye OEToolkits 2.0.6CC(=O)N[C@@H]1Cc2ccccc2NC1

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InChI

InChI 1.03InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1

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InChIKey

InChI 1.03HCEIEGOMGWEGOJ-SNVBAGLBSA-N

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PDB entries

Showing all 4 items

PDB-5r8a:
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1492796719 in complex with INTERLEUKIN-1 BETA

PDB-5rm0:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719

PDB-5rzl:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1492796719

PDB-7hmw:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1492796719

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