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- ChemComp-BSU: 1,3-DIPHENYLUREA -

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Basic information

EntryDatabase: PDB chemical components / ID: BSU
NameName: 1,3-diphenylurea / Synonyms: DIPHENYLCARBAMIDE

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Chemical information

Composition
Formula: C13H12N2O / Number of atoms: 28 / Formula weight: 212.247 / Formal charge: 0
Others

1j8j

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BSU / Model coordinates PDB-ID: 1J8J
History
Create componentMay 22, 2001
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=C(Nc1ccccc1)Nc2ccccc2
CACTVS 3.341O=C(Nc1ccccc1)Nc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)Nc2ccccc2

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SMILES CANONICAL

CACTVS 3.341O=C(Nc1ccccc1)Nc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=O)Nc2ccccc2

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InChI

InChI 1.03InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

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InChIKey

InChI 1.03GWEHVDNNLFDJLR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,3-diphenylurea
OpenEye OEToolkits 1.5.01,3-diphenylurea

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PDB entries

Showing all 4 items

PDB-2zjf:
Crystal structure of Mycobacterium tuberculosis epoxide hydrolase B complexed with an inhibitor

PDB-3e85:
Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea

PDB-5ai5:
ligand complex structure of soluble epoxide hydrolase

PDB-5cw2:
Crystal structure of Epoxide Hydrolase A from Mycobacterium thermoresistibile

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