SEQ2FUN

BioLiP

PDB CCD ID: 264
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2
InChI: InChI=1S/C8H8N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,7H2
InChIKey: KAXCEFLQAYFJKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		N#CCNc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NCC#N
Name:(phenylamino)acetonitrile
ChEMBL: CHEMBL1229843
ZINC: ZINC000001683664
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).