SEQ2FUN

BioLiP

PDB CCD ID: CNV
Number of entries in BioLiP: 7
Chemical formula: C3 H5 N
InChI: InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
InChIKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCC#N
ACDLabs 12.01N#CCC
Name:propanenitrile
ChEMBL: CHEMBL15871
ZINC: ZINC000006072456
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).