SEQ2FUN

BioLiP

PDB CCD ID: ENC
Number of entries in BioLiP: 0
Chemical formula: C3 H6 N
InChI: InChI=1S/C3H6N/c1-3-4-2/h2H,3H2,1H3/q+1
InChIKey: JEGVKBYNUPNGJU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC[N+]#C
ACDLabs 10.04C#[N+]CC
Name:ETHYL ISOCYANIDE
DrugBank: DB03399
ZINC: ZINC000014880747
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).