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- ChemComp-YG5: 2-(1H-indazol-1-yl)-N,N-dimethylacetamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: YG5
NameName: 2-(1H-indazol-1-yl)-N,N-dimethylacetamide

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Chemical information

Composition
Formula: C11H13N3O / Number of atoms: 28 / Formula weight: 203.24 / Formal charge: 0
Others

7fsy

Type: non-polymer / PDB classification: HETAIN / Three letter code: YG5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7FSY
History
Create componentJan 27, 2023
Initial releaseFeb 15, 2023
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 12.01CN(C)C(=O)Cn1ncc2ccccc21
CACTVS 3.385CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7CN(C)C(=O)Cn1c2ccccc2cn1

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SMILES CANONICAL

CACTVS 3.385CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7CN(C)C(=O)Cn1c2ccccc2cn1

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InChI

InChI 1.06InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3

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InChIKey

InChI 1.06AOLISVCNSODKGB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(1H-indazol-1-yl)-N,N-dimethylacetamide
OpenEye OEToolkits 2.0.72-indazol-1-yl-~{N},~{N}-dimethyl-ethanamide

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PDB entries

Showing all 4 items

PDB-7fsy:
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1148165337

PDB-7g87:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148165337

PDB-7h3s:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1148165337 (A71EV2A-x0486)

PDB-7h6q:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1148165337 (CHIKV_MacB-x0312)

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