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- ChemComp-1LQ: quinazolin-4-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: 1LQ
NameName: quinazolin-4-amine

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Chemical information

Composition
Formula: C8H7N3 / Number of atoms: 18 / Formula weight: 145.161 / Formal charge: 0
Others

4jqm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1LQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4JQM
History
Create componentMar 21, 2013
Initial releaseJul 31, 2013
External linksUniChem / ChemSpider / 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 12.01n2c1c(cccc1)c(nc2)N
CACTVS 3.370Nc1ncnc2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ncn2)N

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SMILES CANONICAL

CACTVS 3.370Nc1ncnc2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(ncn2)N

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InChI

InChI 1.03InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)

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InChIKey

InChI 1.03DRYRBWIFRVMRPV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01quinazolin-4-amine
OpenEye OEToolkits 1.7.6quinazolin-4-amine

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PDB entries

Showing all 6 items

PDB-4jqm:
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline

PDB-4nvd:
Predicting protein conformational response in prospective ligand discovery.

PDB-4xv7:
CcP gateless cavity

PDB-5aqp:
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

PDB-5rsd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945

PDB-6y0b:
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24)

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