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- ChemComp-PMF: PHENYLMETHYLSULFONYL FLUORIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: PMF
NameName: phenylmethylsulfonyl fluoride / Synonyms: PMSF
Commentprotease inhibitor*YM

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Chemical information

Composition
Formula: C7H7FO2S / Number of atoms: 18 / Formula weight: 174.193 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PMF / Ideal coordinates details: Corina
History
Create componentMar 29, 2001
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Initial releaseJan 16, 2019
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 2.87FS(=O)(=O)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CS(=O)(=O)F

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SMILES CANONICAL

CACTVS 2.87FS(=O)(=O)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CS(=O)(=O)F

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InChI

InChI 1.03InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2

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InChIKey

InChI 1.03YBYRMVIVWMBXKQ-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-3ce4:
Structure of Macrophage Migration Inhibitory Factor Covalently Inhibited by PMSF Treatment

PDB-6ma8:
Human CYP3A4 bound to PMSF

PDB-8gkp:
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease

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