SEQ2FUN

BioLiP

PDB CCD ID: ANV
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N4 O3 S
InChI: InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10,20-21H,11,16H2
InChIKey: SJPPVLBPVQBKDK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](O)(O)c1ccc(cc1)n2cc(COc3ccccc3)nn2
OpenEye OEToolkits 2.0.5c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O
Name:1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole
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).