SEQ2FUN

BioLiP

PDB CCD ID: K4R
Number of entries in BioLiP: 3
Chemical formula: C8 H5 N3
InChI: InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
InChIKey: REHRQXVEAXFIML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#Cc1n[NH]c2ccccc21
CACTVS 3.385N#Cc1n[nH]c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(n[nH]2)C#N
Name:1H-indazole-3-carbonitrile
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).