BioLiP

PDB

BioLiP

PDB CCD ID:

S8J

Number of entries in BioLiP:

Chemical formula:

C11 H13 N5 O2

InChI:

InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)

InChIKey:

QUQSTKZNAZQZRQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCOc1cccc(c1)C(=O)Nc2nnn(n2)C
CACTVS 3.385	CCOc1cccc(c1)C(=O)Nc2nnn(C)n2

Name:

3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide

ZINC:

ZINC000000558131

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).