SEQ2FUN

BioLiP

PDB CCD ID: YSO
Number of entries in BioLiP: 1
Chemical formula: C8 H6 N4
InChI: InChI=1S/C8H6N4/c9-4-5-2-1-3-6-7(5)8(10)12-11-6/h1-3H,(H3,10,11,12)
InChIKey: KVXRKRURRSOVSJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c2c(c1)[nH]nc2N)C#N
CACTVS 3.385Nc1n[nH]c2cccc(C#N)c12
ACDLabs 12.01N#Cc1cccc2c1c(nn2)N
Name:3-AMINO-1H-INDAZOLE-4-CARBONITRILE
ChEMBL: CHEMBL2391619
ZINC: ZINC000082046794
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).