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- ChemComp-IQA: (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: IQA
NameName: (5-oxo-5,6-dihydro-indolo[1,2-A]quinazolin-7-yl)-acetic acid

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Chemical information

Composition
Formula: C17H12N2O3 / Number of atoms: 34 / Formula weight: 292.289 / Formal charge: 0
Others

1om1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IQA / Model coordinates PDB-ID: 1OM1
History
Create componentMar 14, 2003
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / DrugBank / Nikkaji / 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(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34
CACTVS 3.341OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O

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InChI

InChI 1.03InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)

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InChIKey

InChI 1.03INSBKYCYLCEBOD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acid
OpenEye OEToolkits 1.5.02-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)ethanoic acid

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PDB entries

Showing all 1 items

PDB-1om1:
Crystal structure of maize CK2 alpha in complex with IQA

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