SEQ2FUN

BioLiP

PDB CCD ID: MI7
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
InChIKey: QCBANHQTMCETBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1cccc2cn[nH]c12
ACDLabs 10.04n2cc1cccc(OC)c1n2
OpenEye OEToolkits 1.5.0COc1cccc2c1[nH]nc2
Name:7-METHOXY-1H-INDAZOLE
ChEMBL: CHEMBL15921
ZINC: ZINC000026894532
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).