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- ChemComp-ZAM: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-... -

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Basic information

EntryDatabase: PDB chemical components / ID: ZAM
NameName: 3-[(acetyl-methyl-amino)-methyl]-4-amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-benzamide

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Chemical information

Composition
Formula: C22H26N4O2 / Number of atoms: 54 / Formula weight: 378.467 / Formal charge: 0
Others

1lx6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZAM / Model coordinates PDB-ID: 1LX6
History
Create componentJun 18, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / PubChem / PubChem_TPharma / 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 10.04O=C(N(C)Cc1c(N)ccc(c1)C(=O)N(C)Cc3cc2ccccc2n3C)C
CACTVS 3.341CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)C(C)=O
OpenEye OEToolkits 1.5.0CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C

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SMILES CANONICAL

CACTVS 3.341CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)C(C)=O
OpenEye OEToolkits 1.5.0CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C

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InChI

InChI 1.03InChI=1S/C22H26N4O2/c1-15(27)24(2)13-18-11-17(9-10-20(18)23)22(28)25(3)14-19-12-16-7-5-6-8-21(16)26(19)4/h5-12H,13-14,23H2,1-4H3

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InChIKey

InChI 1.03AWTBJNJPBKTHEV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-{[acetyl(methyl)amino]methyl}-4-amino-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]benzamide
OpenEye OEToolkits 1.5.04-amino-3-[(ethanoyl-methyl-amino)methyl]-N-methyl-N-[(1-methylindol-2-yl)methyl]benzamide

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PDB entries

Showing all 1 items

PDB-1lx6:
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor

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