SEQ2FUN

BioLiP

PDB CCD ID: N83
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-2-8(11)10-7-4-3-5-9-6-7/h2-6H,1H2,(H,10,11)
InChIKey: RMJWTHQXDHWUKO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C=CC(=O)Nc1cccnc1
Name:~{N}-pyridin-3-ylprop-2-enamide
ChEMBL: CHEMBL3309327
ZINC: ZINC000035092516
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).