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- ChemComp-6FB: pyrido[3,4-g]quinazolin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 6FB
NameName: pyrido[3,4-g]quinazolin-2-amine

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Chemical information

Composition
Formula: C11H8N4 / Number of atoms: 23 / Formula weight: 196.208 / Formal charge: 0
Others

5j1w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6FB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5J1W
History
Create componentMar 30, 2016
Initial releaseMay 4, 2016
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 12.01c2c1cnc(N)nc1cc3c2cncc3
CACTVS 3.385Nc1ncc2cc3cnccc3cc2n1
OpenEye OEToolkits 2.0.4c1cncc2c1cc3c(c2)cnc(n3)N

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SMILES CANONICAL

CACTVS 3.385Nc1ncc2cc3cnccc3cc2n1
OpenEye OEToolkits 2.0.4c1cncc2c1cc3c(c2)cnc(n3)N

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InChI

InChI 1.03InChI=1S/C11H8N4/c12-11-14-6-9-3-8-5-13-2-1-7(8)4-10(9)15-11/h1-6H,(H2,12,14,15)

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InChIKey

InChI 1.03HTMYPIWEXZOFDM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01pyrido[3,4-g]quinazolin-2-amine
OpenEye OEToolkits 2.0.4pyrido[3,4-g]quinazolin-2-amine

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PDB entries

Showing all 1 items

PDB-5j1w:
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)

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