BioLiP

PDB

BioLiP

PDB CCD ID:

Q9Z

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3 O

InChI:

InChI=1S/C7H13N3O/c1-6(2)3-4-10-5-7(11)8-9-10/h6H,3-5H2,1-2H3

InChIKey:

NRFSJPLMHMLGTM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(C)CCN1CC(=O)N=N1

Name:

3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one

ChEMBL:

CHEMBL4081301

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).