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- ChemComp-PYS: 2-PYRIDINETHIOL -

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Basic information

EntryDatabase: PDB chemical components / ID: PYS
NameName: 2-pyridinethiol

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Chemical information

Composition
Formula: C5H5NS / Number of atoms: 12 / Formula weight: 111.165 / Formal charge: 0
Others

1cte

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PYS / Model coordinates PDB-ID: 1CTE
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
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 10.04Sc1ncccc1
CACTVS 3.341Sc1ccccn1
OpenEye OEToolkits 1.5.0c1ccnc(c1)S

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SMILES CANONICAL

CACTVS 3.341Sc1ccccn1
OpenEye OEToolkits 1.5.0c1ccnc(c1)S

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InChI

InChI 1.03InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

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InChIKey

InChI 1.03WHMDPDGBKYUEMW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04pyridine-2-thiol
OpenEye OEToolkits 1.5.0pyridine-2-thiol

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PDB entries

Showing all 4 items

PDB-1cte:
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN

PDB-2ipp:
Crystal Structure of the tetragonal form of human liver cathepsin B

PDB-8uiq:
H47Q NicC with 2-mercaptopyridine ligand

PDB-9dl4:
Structure of proline utilization A complexed with 2-pyridinethiol

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