SEQ2FUN

BioLiP

PDB CCD ID: TRI
Number of entries in BioLiP: 2
Chemical formula: C2 H3 N3
InChI: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1[nH]cnn1
CACTVS 3.341[nH]1cnnc1
ACDLabs 10.04n1ncnc1
Name:1,2,4-TRIAZOLE
ChEMBL: CHEMBL15571
DrugBank: DB03594
ZINC: ZINC000005943507
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).