SEQ2FUN

BioLiP

PDB CCD ID: 78Y
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N4 O
InChI: InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
InChIKey: IHPOVUXVIZRYAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1c(nn(n1)c2ccccc2)C(=O)N
CACTVS 3.385Cc1nn(nc1C(N)=O)c2ccccc2
Name:5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide
ChEMBL: CHEMBL1417210
ZINC: ZINC000000152692
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).