BioLiP

PDB

BioLiP

PDB CCD ID:

CCN

Number of entries in BioLiP:

Chemical formula:

C2 H3 N

InChI:

InChI=1S/C2H3N/c1-2-3/h1H3

InChIKey:

WEVYAHXRMPXWCK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 11.02	N#CC
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CC#N

Name:

ACETONITRILE

ChEMBL:

CHEMBL45211

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).