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BioLiP

PDB CCD ID: UJK
Number of entries in BioLiP: 3
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:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1n2cc(nn2)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccccc1n2cc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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