SEQ2FUN

BioLiP

PDB CCD ID: WIK
Number of entries in BioLiP: 2
Chemical formula: C14 H12 N4
InChI: InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)
InChIKey: VWOJMXKARYCRCC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccc(cc1)c2ccccc2c3[nH]nnn3
ACDLabs 12.01Cc1ccc(cc1)c1ccccc1c1nnn[NH]1
Name:(5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole
ChEMBL: CHEMBL1908064
ZINC: ZINC000002570854
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).