SEQ2FUN

BioLiP

PDB CCD ID: BXH
Number of entries in BioLiP: 1
Chemical formula: C5 H8 N4 O2
InChI: InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
InChIKey: NAOHMNNTUFFTBF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOC(=O)Cc1n[nH]nn1
Name:ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate
ChEMBL: CHEMBL1528738
ZINC: ZINC000004218258
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).