2-methyl-quinolin-4(1H)-one
Subtrate analogue, non-reactive molecule structurally closest to the natural substrate (3-hydroxy-2-methylquinolin-4(1H)-one QND) in which the hydroxyl group at position 3 is replaced by H-substituent
General
Type : Quinoline
Chemical_Nomenclature : 2-methyl-1H-quinolin-4-one
Canonical SMILES : CC1=CC(=O)C2=CC=CC=C2N1
InChI : InChI=1S\/C10H9NO\/c1-7-6-10(12)8-4-2-3-5-9(8)11-7\/h2-6H,1H3,(H,11,12)
InChIKey : NWINIEGDLHHNLH-UHFFFAOYSA-N
Other name(s) : MQO || ZINC18284312 || SCHEMBL266459 || CHEMBL1256109 || 4-Hydroxy-2-methylquinoline || 2-Methylquinolin-4-ol || 2-Methyl-4-quinolinol
MW : 159.18
Formula : C10H9NO
CAS_number : 607-67-0, 5660-24-2
PubChem : 69089
UniChem : NWINIEGDLHHNLH-UHFFFAOYSA-N
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Target
Structures : 8OXN, 8ORO, 7OJM, 7OKZ
Families : HOD-cofactorfree-dioxygenase
References (2)
| Title : Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha\/beta fold - Bui_2023_Chem.Sci_14_10547 |
| Author(s) : Bui S , Gil-Guerrero S , van der Linden P , Carpentier P , Ceccarelli M , Jambrina PG , Steiner RA |
| Ref : Chem Sci , 14 :10547 , 2023 |
| Abstract : |
| PubMedSearch : Bui_2023_Chem.Sci_14_10547 |
| PubMedID: 37799987 |
| Gene_locus related to this paper: artsp-hod |
| Title : Evolutionary adaptation from hydrolytic to oxygenolytic catalysis - Bui_2023_bioRxiv__ |
| Author(s) : Bui S , Gil-Guerrero S , van der Linden P , Carpentier P , Ceccarelli M , Jambrina PG , Steiner RA |
| Ref : Biorxiv , : , 2023 |
| Abstract : |
| PubMedSearch : Bui_2023_bioRxiv__ |
| PubMedID: |
| Gene_locus related to this paper: artsp-hod |