SEQ2FUN

BioLiP

PDB CCD ID: WA8
Number of entries in BioLiP: 2
Chemical formula: C13 H16 N2 O2
InChI: InChI=1S/C13H16N2O2/c1-3-8-14(9-4-2)13(17)11-15-10-6-5-7-12(15)16/h3-7,10H,1-2,8-9,11H2
InChIKey: ZBQFMTQYENBQPV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
C=CCN(CC=C)C(=O)CN1C=CC=CC1=O
ACDLabs 12.01O=C(CN1C=CC=CC1=O)N(CC=C)CC=C
Name:2-(2-oxopyridin-1(2H)-yl)-N,N-di(prop-2-en-1-yl)acetamide
ZINC: ZINC000045000811

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).