SEQ2FUN

BioLiP

PDB CCD ID: A1IO3
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N5 O
InChI: InChI=1S/C11H13N5O/c17-11(8-10-13-15-16-14-10)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,17)(H,13,14,15,16)
InChIKey: IGPVTXOEQKVWEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2
CACTVS 3.385O=C(Cc1[nH]nnn1)NCCc2ccccc2
Name:N-phenethyl-2-(1H-tetrazol-5-yl)acetamide;
~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
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).