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- ChemComp-KZ0: 2,4,6-tris(chloromethyl)-1,3,5-triazine -

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Basic information

EntryDatabase: PDB chemical components / ID: KZ0
NameName: 2,4,6-tris(chloromethyl)-1,3,5-triazine / Synonyms: Chemical crosslinker

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Chemical information

Composition
Formula: C6H6Cl3N3 / Number of atoms: 18 / Formula weight: 226.491 / Formal charge: 0
Others

7z8o

Type: non-polymer / PDB classification: HETAIN / Three letter code: KZ0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z8O
History
Create componentJun 8, 2022
Modify leaving atom flagJun 8, 2022
Modify synonymsJul 1, 2022
Modify coordinatesJul 19, 2022
Modify descriptorAug 22, 2022
Initial releaseJun 28, 2023
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

CACTVS 3.385ClCc1nc(CCl)nc(CCl)n1
OpenEye OEToolkits 2.0.7C(c1nc(nc(n1)CCl)CCl)Cl

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SMILES CANONICAL

CACTVS 3.385ClCc1nc(CCl)nc(CCl)n1
OpenEye OEToolkits 2.0.7C(c1nc(nc(n1)CCl)CCl)Cl

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InChI

InChI 1.06InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2

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InChIKey

InChI 1.06RICRAVHJCLFPFF-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-7z8o:
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide

PDB-9gxe:
Structure of the SARS-CoV spike glycoprotein in complex with a homotrimeric Bicycle molecule

PDB-9gxg:
Structure of the SARS-CoV spike glycoprotein in complex with a biparatopic Bicycle molecule

PDB-9i93:
Cryo-EM structure of Shigella flexneri LptDE bound by a Bicyclic peptide molecule (Compound 2)

PDB-9i94:
Cryo-EM structure of Shigella flexneri LptDE bound by a Bicyclic peptide molecule (Compound 3)

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