SEQ2FUN

BioLiP

PDB CCD ID: 0JI
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N3 O2
InChI: InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
InChIKey: RRHCZOBPABYIJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1n(nnc1C(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.7Cc1c(nnn1c2ccccc2)C(=O)O
Name:5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
ChEMBL: CHEMBL1370586
ZINC: ZINC000000234666

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).