SEQ2FUN

BioLiP

PDB CCD ID: ZXZ
Number of entries in BioLiP: 4
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
InChIKey: CEONKCOBRZOYJS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC1=CC(=O)N(c2c1cccc2)C
CACTVS 3.370CN1C(=O)C=C(C)c2ccccc12
ACDLabs 12.01O=C2C=C(c1c(cccc1)N2C)C
Name:1,4-dimethylquinolin-2(1H)-one
ChEMBL: CHEMBL60376
ZINC: ZINC000000032147
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).