SEQ2FUN

BioLiP

PDB CCD ID: JVB
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c1-11-5-2-3-7-13(11)18-10-14(17)16-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey: MUOTYWWZYLNCGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccccc1OCC(=O)Nc2cccnc2
Name:2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide
ChEMBL: CHEMBL4470075
ZINC: ZINC000000191601
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).