BioLiP

PDB

BioLiP

PDB CCD ID:

Y9A

Number of entries in BioLiP:

Chemical formula:

C16 H17 N5 O

InChI:

InChI=1S/C16H17N5O/c1-12-5-7-13(8-6-12)11-22-15-4-2-3-14(9-15)10-17-16-18-20-21-19-16/h2-9H,10-11H2,1H3,(H2,17,18,19,20,21)

InChIKey:

HREJSYOOKBBZAB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(COc2cccc(CNc3[nH]nnn3)c2)cc1
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)COc2cccc(c2)CNc3[nH]nnn3

Name:

~{N}-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-1~{H}-1,2,3,4-tetrazol-5-amine

ZINC:

ZINC000004999773

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).