SEQ2FUN

BioLiP

PDB CCD ID: SJW
Number of entries in BioLiP: 0
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey: WDGXIUUWINKTGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCc1cccnc1
OpenEye OEToolkits 2.0.7c1cc(cnc1)CCC(=O)O
Name:3-pyridin-3-ylpropanal
ZINC: ZINC000019682806
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).