SEQ2FUN

BioLiP

PDB CCD ID: J5I
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O
InChI: InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
InChIKey: POYSUXIHCXBJPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC1=Cc2ccccc2NC1=O
Name:3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE
ChEMBL: CHEMBL3586688
ZINC: ZINC000016343284
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).