BioLiP

PDB

BioLiP

PDB CCD ID:

QHB

Number of entries in BioLiP:

Chemical formula:

C7 H7 N3 O

InChI:

InChI=1S/C7H7N3O/c1-11-6-4-2-3-5-7(6)9-10-8-5/h2-4H,1H3,(H,8,9,10)

InChIKey:

BFBZLCUTOUZMLJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc2nn[nH]c12
OpenEye OEToolkits 2.0.7	COc1cccc2c1[nH]nn2

Name:

7-methoxy-1~{H}-benzotriazole

ChEMBL:

CHEMBL4879253

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).