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- ChemComp-T0Y: 1-[(thiophen-3-yl)methyl]piperidin-4-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: T0Y
NameName: 1-[(thiophen-3-yl)methyl]piperidin-4-ol

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Chemical information

Composition
Formula: C10H15NOS / Number of atoms: 28 / Formula weight: 197.297 / Formal charge: 0
Others

5reb

Type: non-polymer / PDB classification: HETAIN / Three letter code: T0Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5REB
History
Create componentMar 16, 2020
Initial releaseMar 25, 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 12.01C1CN(CCC1O)Cc2cscc2
CACTVS 3.385OC1CCN(CC1)Cc2cscc2
OpenEye OEToolkits 2.0.7c1cscc1CN2CCC(CC2)O

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SMILES CANONICAL

CACTVS 3.385OC1CCN(CC1)Cc2cscc2
OpenEye OEToolkits 2.0.7c1cscc1CN2CCC(CC2)O

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InChI

InChI 1.03InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2

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InChIKey

InChI 1.03JQJVNJKLFUBEBG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-[(thiophen-3-yl)methyl]piperidin-4-ol
OpenEye OEToolkits 2.0.71-(thiophen-3-ylmethyl)piperidin-4-ol

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PDB entries

Showing all 5 items

PDB-5reb:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899

PDB-5rwb:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434899

PDB-5sc0:
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899

PDB-7gpk:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z905434478

PDB-7hgf:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1262433643

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