SEQ2FUN

BioLiP

PDB CCD ID: A1AXM
Number of entries in BioLiP: 1
Chemical formula: C10 H7 N3
InChI: InChI=1S/C10H7N3/c11-7-9-3-1-2-4-10(9)13-6-5-12-8-13/h1-6,8H
InChIKey: MNKBJOSIVSQUBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#Cc1ccccc1n1ccnc1
CACTVS 3.385N#Cc1ccccc1n2ccnc2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C#N)n2ccnc2
Name:(2M)-2-(1H-imidazol-1-yl)benzonitrile
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).