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- ChemComp-TPT: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride -

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Basic information

EntryDatabase: PDB chemical components / ID: TPT
NameName: 2,2':6',2''-terpyridine platinum(ii) Chloride

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Chemical information

Composition
Formula: C15H11ClN3Pt / Number of atoms: 31 / Formula weight: 463.799 / Formal charge: 1
Others

1qnq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TPT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1QNQ / Ambiguous flag: Yes
History
Create componentOct 7, 1999
Other modificationSep 23, 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 12.01Cl[Pt+]35n1ccccc1c4cccc(c2ccccn23)n45
CACTVS 3.370Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25
OpenEye OEToolkits 1.7.2C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl

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SMILES CANONICAL

CACTVS 3.370Cl[Pt+]|1|2|n3ccccc3c4cccc(n|14)c5ccccn|25
OpenEye OEToolkits 1.7.2C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]5=C4C=CC=C5)Cl

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InChI

InChI 1.03InChI=1S/C15H11N3.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;;/h1-11H;1H;/q;;+2/p-1

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InChIKey

InChI 1.03XTQMQLRZXBEQCS-UHFFFAOYSA-M

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PDB entries

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Choline binding domain of the major autolysin (C-LytA) from Streptococcus pneumoniae

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Crystal structure of human thioredoxin reductase I and terpyridine platinum(II)

PDB-3ro0:
Crystal structure of Bacillus amyloliquefaciens pyroglutamyl peptidase I and terpyridine platinum(II)

PDB-3ro1:
Crystal structure of the complex of the archaeal sulfolobus PTP-fold phosphatase with terpyridine platinum(II)

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