SEQ2FUN

BioLiP

PDB CCD ID: M4T
Number of entries in BioLiP: 2
Chemical formula: C7 H8 N2 O
InChI: InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h2-5H,1H3,(H,9,10)
InChIKey: JVYIBLHBCPSTKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)Nc1cccnc1
Name:~{N}-pyridin-3-ylethanamide
ChEMBL: CHEMBL12056
ZINC: ZINC000000152540
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).