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- ChemComp-HV2: 1,1-bis(oxidanylidene)thietan-3-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: HV2
NameName: 1,1-bis(oxidanylidene)thietan-3-ol

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Chemical information

Composition
Formula: C3H6O3S / Number of atoms: 13 / Formula weight: 122.143 / Formal charge: 0
Others

6qal

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HV2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QAL
History
Create componentDec 19, 2018
Initial releaseMar 27, 2019
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / SureChEMBL / ZINC / 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 3.385OC1C[S](=O)(=O)C1
OpenEye OEToolkits 2.0.6C1C(CS1(=O)=O)O

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SMILES CANONICAL

CACTVS 3.385OC1C[S](=O)(=O)C1
OpenEye OEToolkits 2.0.6C1C(CS1(=O)=O)O

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InChI

InChI 1.03InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2

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InChIKey

InChI 1.03CIUZABLJPXPIFC-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5rf5:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482

PDB-5s7i:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a

PDB-6qal:
ERK2 mini-fragment binding

PDB-7ga3:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z3241250482

PDB-7hl1:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z3241250482 (DNV2_NS5A-x1037)

PDB-7pvf:
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione

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