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- ChemComp-DMD: 5,6-DIMETHYLBENZIMIDAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: DMD
NameName: 5,6-dimethylbenzimidazole

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Chemical information

Composition
Formula: C9H10N2 / Number of atoms: 21 / Formula weight: 146.189 / Formal charge: 0
Others

1d0s

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DMD / Model coordinates PDB-ID: 1D0S
History
Create componentSep 16, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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

ACDLabs 10.04n2c1cc(c(cc1nc2)C)C
CACTVS 3.341Cc1cc2[nH]cnc2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc[nH]2

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SMILES CANONICAL

CACTVS 3.341Cc1cc2[nH]cnc2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc[nH]2

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InChI

InChI 1.03InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)

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InChIKey

InChI 1.03LJUQGASMPRMWIW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045,6-dimethyl-1H-benzimidazole
OpenEye OEToolkits 1.5.05,6-dimethyl-1H-benzimidazole

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PDB entries

Showing all 6 items

PDB-1d0s:
CRYSTAL STRUCTURE OF NICOTINATE MONONUCLEOTIDE : 5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA TYPHIMURIUM COMPLEXED WITH 5, 6-DIMETHYLBENZIMIDAZOLE

PDB-4d6s:
crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound 5,6-Dimethylbenzimidazole

PDB-4hdr:
Crystal Structure of ArsAB in Complex with 5,6-dimethylbenzimidazole

PDB-4kqg:
Crystal structure of CobT E174A complexed with DMB

PDB-5ph3:
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09575a

PDB-7cjg:
Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase

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