SEQ2FUN

BioLiP

PDB CCD ID: 71G
Number of entries in BioLiP: 0
Chemical formula: C7 H6 N2
InChI: InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2
InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(cc(c1)N)C#N
ACDLabs 12.01c1(cc(N)ccc1)C#N
CACTVS 3.385Nc1cccc(c1)C#N
Name:3-aminobenzonitrile
ChEMBL: CHEMBL326475
ZINC: ZINC000000388409
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).