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- ChemComp-URS: N-PHENYLTHIOUREA -

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Basic information

EntryDatabase: PDB chemical components / ID: URS
NameName: N-phenylthiourea

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Chemical information

Composition
Formula: C7H8N2S / Number of atoms: 18 / Formula weight: 152.217 / Formal charge: 0
Others

1bug

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: URS / Model coordinates PDB-ID: 1BUG
History
Create componentJul 15, 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 10.04S=C(Nc1ccccc1)N
CACTVS 3.341NC(=S)Nc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=S)N

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SMILES CANONICAL

CACTVS 3.341NC(=S)Nc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=S)N

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InChI

InChI 1.03InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)

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InChIKey

InChI 1.03FULZLIGZKMKICU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-phenylthiourea
OpenEye OEToolkits 1.5.0phenylthiourea

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PDB entries

Showing all 4 items

PDB-1bug:
CATECHOL OXIDASE FROM IPOMOEA BATATAS (SWEET POTATOES)-INHIBITOR COMPLEX WITH PHENYLTHIOUREA (PTU)

PDB-5m8s:
Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with phenylthiourea (PTU)

PDB-5phf:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09688a

PDB-6rrp:
Crystal structure of tyrosinase PvdP from Pseudomonas aeruginosa bound to copper and phenylthiourea

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