SEQ2FUN

BioLiP

PDB CCD ID: 6NJ
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N2
InChI: InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,10-11H2,(H,16,17)
InChIKey: LXISBZUPGQAOKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCc2c3ccccc3[nH]n2
CACTVS 3.385C(Cc1n[nH]c2ccccc12)c3ccccc3
Name:3-(2-phenylethyl)-1H-indazole
ZINC: ZINC000196864135
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).