SEQ2FUN

BioLiP

PDB CCD ID: VFH
Number of entries in BioLiP: 10
Chemical formula: C10 H9 N O
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
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC(=O)c2ccccc2N1
Name:2-methyl-quinolin-4(1H)-one
ChEMBL: CHEMBL1256109
ZINC: ZINC000018284312
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).