SEQ2FUN

BioLiP

PDB CCD ID: ITV
Number of entries in BioLiP: 3
Chemical formula: C15 H14 N3 O3 P
InChI: InChI=1S/C15H14N3O3P/c19-22(20,21)11-13-8-4-5-9-15(13)18-10-14(16-17-18)12-6-2-1-3-7-12/h1-10H,11H2,(H2,19,20,21)
InChIKey: XWMIAAPWEKOACK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cn(nn2)c3ccccc3CP(=O)(O)O
CACTVS 3.385O[P](O)(=O)Cc1ccccc1n2cc(nn2)c3ccccc3
Name:[2-(4-phenyl-1,2,3-triazol-1-yl)phenyl]methylphosphonic acid
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).