SEQ2FUN

BioLiP

PDB CCD ID: PXV
Number of entries in BioLiP: 3
Chemical formula: C16 H25 N O3
InChI: InChI=1S/C16H25NO3/c1-20-15-10-8-14(9-11-15)16(19)17-12-6-4-2-3-5-7-13-18/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)
InChIKey: NQLXMEWCEUVFAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)C(=O)NCCCCCCCCO
ACDLabs 12.01C(CO)CCCCCCNC(c1ccc(cc1)OC)=O
Name:N-(8-hydroxyoctyl)-4-methoxybenzamide
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).