SEQ2FUN

BioLiP

PDB CCD ID: VT4
Number of entries in BioLiP: 2
Chemical formula: C19 H25 N O2
InChI: InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3
InChIKey: UMFLEDWOPZCDDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C
Name:2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one
ZINC: ZINC000098209540
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).