BioLiP

PDB

BioLiP

PDB CCD ID:

S7S

Number of entries in BioLiP:

Chemical formula:

C7 H13 N5 O

InChI:

InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)

InChIKey:

DUUFAOAFBKVYMI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCC(=O)Nc1nnn(n1)CC
CACTVS 3.385	CCCC(=O)Nc1nnn(CC)n1

Name:

~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide

ZINC:

ZINC000000557550

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).