BioLiP

PDB

BioLiP

PDB CCD ID:

UJK

Number of entries in BioLiP:

Chemical formula:

C10 H9 N3 O2

InChI:

InChI=1S/C10H9N3O2/c1-7-4-2-3-5-9(7)13-6-8(10(14)15)11-12-13/h2-6H,1H3,(H,14,15)

InChIKey:

DAYJQFRBEKQYDR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccccc1n2cc(nn2)C(O)=O
OpenEye OEToolkits 2.0.7	Cc1ccccc1n2cc(nn2)C(=O)O

Name:

1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid;
1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104

ZINC:

ZINC000036666764

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).