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- ChemComp-2PV: (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazoli... -

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Basic information

EntryDatabase: PDB chemical components / ID: 2PV
NameName: (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one

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Chemical information

Composition
Formula: C10H9N3OS / Number of atoms: 24 / Formula weight: 219.263 / Formal charge: 0
Others

4o5g

Type: non-polymer / PDB classification: HETAIN / Three letter code: 2PV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4O5G
History
Create componentDec 24, 2013
Initial releaseJan 8, 2014
Modify formulaFeb 12, 2020
External linksUniChem / ChemSpider / PubChem / SureChEMBL / 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 3.385Nc1ccc(cc1)C=C2SC(=N)NC2=O
OpenEye OEToolkits 2.0.7c1cc(ccc1C=C2C(=O)NC(=N)S2)N

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SMILES CANONICAL

CACTVS 3.385Nc1ccc(cc1)\C=C/2SC(=N)NC/2=O
OpenEye OEToolkits 2.0.7[H]/N=C\1/NC(=O)/C(=C\c2ccc(cc2)N)/S1

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InChI

InChI 1.03InChI=1S/C10H9N3OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-5H,11H2,(H2,12,13,14)/b8-5+

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InChIKey

InChI 1.03QXOIZYPBCJHYLN-VMPITWQZSA-N

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PDB entries

Showing all 1 items

PDB-4o5g:
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities

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