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- ChemComp-FNM: (5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dih... -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: FNM
NameName: (5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one
Commentinhibitor*YM

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Chemical information

Composition
Formula: C17H17N3OS / Number of atoms: 39 / Formula weight: 311.401 / Formal charge: 0
Others

3l75

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FNM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3L75
History
Create componentJan 21, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / 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 3.352CSC1=N[C](C)(C(=O)N1Nc2ccccc2)c3ccccc3
OpenEye OEToolkits 1.7.0CC1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3

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SMILES CANONICAL

CACTVS 3.352CSC1=N[C@](C)(C(=O)N1Nc2ccccc2)c3ccccc3
OpenEye OEToolkits 1.7.0C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3

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InChI

InChI 1.03InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1

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InChIKey

InChI 1.03LMVPQMGRYSRMIW-KRWDZBQOSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-phenylazanyl-imidazol-4-one

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PDB entries

Showing all 2 items

PDB-3l75:
Cytochrome BC1 complex from chicken with fenamidone bound

PDB-5klv:
Structure of bos taurus cytochrome bc1 with fenamidone inhibited

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