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- ChemComp-YX6: N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: YX6
NameName: N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide

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Chemical information

Composition
Formula: C9H11N3O2S / Number of atoms: 26 / Formula weight: 225.268 / Formal charge: 0
Others

7g84

Type: non-polymer / PDB classification: HETAIN / Three letter code: YX6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G84
History
Create componentJun 22, 2023
Initial releaseJul 12, 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 12.01O=C(NC1CCC(=O)NC1)c1cscn1
CACTVS 3.385O=C1CC[CH](CN1)NC(=O)c2cscn2
OpenEye OEToolkits 2.0.7c1c(ncs1)C(=O)NC2CCC(=O)NC2

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SMILES CANONICAL

CACTVS 3.385O=C1CC[C@H](CN1)NC(=O)c2cscn2
OpenEye OEToolkits 2.0.7c1c(ncs1)C(=O)N[C@@H]2CCC(=O)NC2

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InChI

InChI 1.06InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1

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InChIKey

InChI 1.06MTDCJLXPYPQTPX-ZCFIWIBFSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
OpenEye OEToolkits 2.0.7~{N}-[(3~{R})-6-oxidanylidenepiperidin-3-yl]-1,3-thiazole-4-carboxamide

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PDB entries

Showing all 4 items

PDB-7g84:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527

PDB-7gny:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1102357527

PDB-7h22:
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1102357527

PDB-7h6o:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300)

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