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- ChemComp-K8X: 4,5,6,7-tetraiodo-1H-benzimidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: K8X
NameName: 4,5,6,7-tetraiodo-1H-benzimidazole

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Chemical information

Composition
Formula: C7H2I4N2 / Number of atoms: 15 / Formula weight: 621.722 / Formal charge: 0
Others

3kxn

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K8X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KXN
History
Create componentDec 4, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Nikkaji / PubChem / PubChem_TPharma / ZINC / 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 3.352Ic1c(I)c(I)c2nc[nH]c2c1I
OpenEye OEToolkits 1.7.0c1[nH]c2c(n1)c(c(c(c2I)I)I)I

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SMILES CANONICAL

CACTVS 3.352Ic1c(I)c(I)c2nc[nH]c2c1I
OpenEye OEToolkits 1.7.0c1[nH]c2c(n1)c(c(c(c2I)I)I)I

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InChI

InChI 1.03InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13)

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InChIKey

InChI 1.03ZUHFPYANLLWSJR-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.14,5,6,7-tetraiodo-1H-benzimidazole

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PDB entries

Showing all 1 items

PDB-3kxn:
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)

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