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- ChemComp-ONQ: ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: ONQ
NameName: ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

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Chemical information

Composition
Formula: C10H12N2O3 / Number of atoms: 27 / Formula weight: 208.214 / Formal charge: 0
Others

6ydv

Type: non-polymer / PDB classification: HETAIN / Three letter code: ONQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YDV
History
Create componentMar 23, 2020
Initial releaseMay 6, 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 3.385COc1ccc(cc1)C(=O)NCC(N)=O
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(=O)NCC(=O)N

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SMILES CANONICAL

CACTVS 3.385COc1ccc(cc1)C(=O)NCC(N)=O
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(=O)NCC(=O)N

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InChI

InChI 1.03InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)

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InChIKey

InChI 1.03ZKADLOGPYJUFCB-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-5rzp:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z33546965

PDB-6ydv:
Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library

PDB-7h7r:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z33546965 (CHIKV_MacB-x0934)

PDB-7hif:
Group deposition for combi-soaks of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1041785508 and Z33546965 (CHIKV_MacB-x1491)

PDB-9f5k:
UP1 in complex with Z33546965

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