SEQ2FUN

BioLiP

PDB CCD ID: SVT
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-11-7-2-3-8-6(4-7)5-9-10-8/h2-5H,1H3,(H,9,10)
InChIKey: GZWWDKIVVTXLFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)cn[nH]2
CACTVS 3.385COc1ccc2[nH]ncc2c1
Name:5-methoxy-1~{H}-indazole
ChEMBL: CHEMBL15739
ZINC: ZINC000014983627
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).