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- ChemComp-12Q: 1-METHYLQUINOLIN-2(1H)-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: 12Q
NameName: 1-methylquinolin-2(1H)-one / Synonyms: 1-METHYL-2-QUINOLONE

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Chemical information

Composition
Formula: C10H9NO / Number of atoms: 21 / Formula weight: 159.185 / Formal charge: 0
Others

2f64

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 12Q / Model coordinates PDB-ID: 2F64
History
Create componentNov 29, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O=C2C=Cc1c(cccc1)N2C
CACTVS 3.341CN1C(=O)C=Cc2ccccc12
OpenEye OEToolkits 1.5.0CN1c2ccccc2C=CC1=O

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SMILES CANONICAL

CACTVS 3.341CN1C(=O)C=Cc2ccccc12
OpenEye OEToolkits 1.5.0CN1c2ccccc2C=CC1=O

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InChI

InChI 1.03InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3

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InChIKey

InChI 1.03QYEMNJMSULGQRD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-methylquinolin-2(1H)-one
OpenEye OEToolkits 1.5.01-methylquinolin-2-one

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PDB entries

Showing all 6 items

PDB-2f64:
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound

PDB-4qst:
Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one

PDB-5fe1:
Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1)

PDB-5s8l:
XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with E11289c (space group C2)

PDB-5t4u:
Crystal structure of the bromodomain of human BRPF1 in complex with a quinolinone ligand

PDB-7px5:
ATAD2 in complex with 1-Methyl-2-quinolone

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