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- ChemComp-VVP: 4-methoxy-1H-indole -

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Basic information

EntryDatabase: PDB chemical components / ID: VVP
NameName: 4-methoxy-1H-indole

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Chemical information

Composition
Formula: C9H9NO / Number of atoms: 20 / Formula weight: 147.174 / Formal charge: 0
Others

5rle

Type: non-polymer / PDB classification: HETAIN / Three letter code: VVP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RLE
History
Create componentSep 17, 2020
Initial releaseSep 30, 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

ACDLabs 12.01n1ccc2c1cccc2OC
CACTVS 3.385COc1cccc2[nH]ccc12
OpenEye OEToolkits 2.0.7COc1cccc2c1cc[nH]2

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SMILES CANONICAL

CACTVS 3.385COc1cccc2[nH]ccc12
OpenEye OEToolkits 2.0.7COc1cccc2c1cc[nH]2

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InChI

InChI 1.03InChI=1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3

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InChIKey

InChI 1.03LUNOXNMCFPFPMO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-methoxy-1H-indole
OpenEye OEToolkits 2.0.74-methoxy-1~{H}-indole

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PDB entries

Showing all 4 items

PDB-5rle:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1429867185

PDB-5soe:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185

PDB-7fsq:
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185

PDB-9bbh:
Co-crystal structure of human DDB1 bound to fragment UB028670

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