SEQ2FUN

BioLiP

PDB CCD ID: 98Z
Number of entries in BioLiP: 1
Chemical formula: C9 H6 N2
InChI: InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey: CHIFTAQVXHNVRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c(c[nH]2)C#N
CACTVS 3.385N#Cc1c[nH]c2ccccc12
Name:1~{H}-indole-3-carbonitrile
ChEMBL: CHEMBL46724
ZINC: ZINC000000142407
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).