SEQ2FUN

BioLiP

PDB CCD ID: 8HJ
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N O2
InChI: InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
InChIKey: LKLSFDWYIBUGNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2CCC(=O)Nc2c1
OpenEye OEToolkits 2.0.6c1cc2c(cc1O)NC(=O)CC2
Name:7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one
ChEMBL: CHEMBL2430711
ZINC: ZINC000003957997
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).