SEQ2FUN

BioLiP

PDB CCD ID: NNQ
Number of entries in BioLiP: 1
Chemical formula: C18 H25 N O
InChI: InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)
InChIKey: KKRXDNYRUZGPFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCCCCCCCCC1=CC(=O)c2ccccc2N1
ACDLabs 12.01O=C2c1c(cccc1)NC(=C2)CCCCCCCCC
Name:2-nonylquinolin-4(1H)-one
ChEMBL: CHEMBL2270128
ZINC: ZINC000070455165
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).