SEQ2FUN

BioLiP

PDB CCD ID: 0RW
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2
InChI: InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
InChIKey: FWOPJXVQGMZKEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1[nH]nc2ccccc12
OpenEye OEToolkits 1.7.6Cc1c2ccccc2n[nH]1
ACDLabs 12.01n1c2ccccc2c(n1)C
Name:3-methyl-2H-indazole
ChEMBL: CHEMBL1762732
ZINC: ZINC000000337341
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).