SEQ2FUN

BioLiP

PDB CCD ID: MWU
Number of entries in BioLiP: 3
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11)
InChIKey: ZUKUBTGXSHTDHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C=CC(=O)Nc1ccccn1
Name:~{N}-pyridin-2-ylprop-2-enamide
ChEMBL: CHEMBL2426254
ZINC: ZINC000034027328
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).