SEQ2FUN

BioLiP

PDB CCD ID: 8D4
Number of entries in BioLiP: 4
Chemical formula: C9 H7 N3 O2
InChI: InChI=1S/C9H7N3O2/c13-9(14)8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,13,14)(H,10,11,12)
InChIKey: KZVFXYXQNAYXFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1nn[nH]c1c2ccccc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2c(nn[nH]2)C(=O)O
ACDLabs 12.01OC(=O)c2c(c1ccccc1)nnn2
Name:5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
ChEMBL: CHEMBL1303854
ZINC: ZINC000004384478
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).